(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

C80H106Cl4F5N15O10 — CID 167677135

IUPAC(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CCN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1F
InChIInChI=1S/C18H26FN3O2.2C16H21ClFN3O2.2C15H19ClFN3O2/c1-12(2)10-20-18(24)22-8-4-5-14(11-22)17(23)21-15-7-6-13(3)16(19)9-15;1-3-20(2)16(23)21-8-4-5-11(10-21)15(22)19-12-6-7-13(17)14(18)9-12;1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12;1-19(2)15(22)20-7-3-4-10(9-20)14(21)18-11-5-6-12(16)13(17)8-11;1-2-18-15(22)20-7-3-4-10(9-20)14(21)19-11-5-6-12(16)13(17)8-11/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,20,24)(H,21,23);6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,22);5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22);5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21);5-6,8,10H,2-4,7,9H2,1H3,(H,18,22)(H,19,21)/t14-;2*11-;2*10-/m00000/s1
InChIKeyUZCAHNJXPBBNNP-WQXTUCSTSA-N
MW1674.62 g/mol
LogP15.27
Rot. Bonds16

About (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 167677135) has the molecular formula C80H106Cl4F5N15O10 and a molecular weight of 1674.62 g/mol. Its IUPAC name is (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
PubChem CID167677135
Molecular FormulaC80H106Cl4F5N15O10
Molecular Weight1674.62 g/mol
Exact Mass1671.69
IUPAC Name(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CCN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1F
InChIInChI=1S/C18H26FN3O2.2C16H21ClFN3O2.2C15H19ClFN3O2/c1-12(2)10-20-18(24)22-8-4-5-14(11-22)17(23)21-15-7-6-13(3)16(19)9-15;1-3-20(2)16(23)21-8-4-5-11(10-21)15(22)19-12-6-7-13(17)14(18)9-12;1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12;1-19(2)15(22)20-7-3-4-10(9-20)14(21)18-11-5-6-12(16)13(17)8-11;1-2-18-15(22)20-7-3-4-10(9-20)14(21)19-11-5-6-12(16)13(17)8-11/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,20,24)(H,21,23);6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,22);5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22);5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21);5-6,8,10H,2-4,7,9H2,1H3,(H,18,22)(H,19,21)/t14-;2*11-;2*10-/m00000/s1
InChIKeyUZCAHNJXPBBNNP-WQXTUCSTSA-N
XLogP15.27
TPSA289.62 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.62
LogP ≤ 515.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;nickel
CID 153400238
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-methylpiperidine-1,3-dicarboxamide
CID 166027295
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;methane;(4-nitrophenyl) (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 167544804
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate;nickel
CID 153400255
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568216

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (CID 167677135) is (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is CCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CCN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1F.
What is the InChIKey of (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is UZCAHNJXPBBNNP-WQXTUCSTSA-N. The full InChI is InChI=1S/C18H26FN3O2.2C16H21ClFN3O2.2C15H19ClFN3O2/c1-12(2)10-20-18(24)22-8-4-5-14(11-22)17(23)21-15-7-6-13(3)16(19)9-15;1-3-20(2)16(23)21-8-4-5-11(10-21)15(22)19-12-6-7-13(17)14(18)9-12;1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12;1-19(2)15(22)20-7-3-4-10(9-20)14(21)18-11-5-6-12(16)13(17)8-11;1-2-18-15(22)20-7-3-4-10(9-20)14(21)19-11-5-6-12(16)13(17)8-11/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,20,24)(H,21,23);6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,22);5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22);5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,21);5-6,8,10H,2-4,7,9H2,1H3,(H,18,22)(H,19,21)/t14-;2*11-;2*10-/m00000/s1.
What are the key properties of (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 1674.62 g/mol, XLogP of 15.27, 16 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethyl-1-N-methylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide;(3S)-3-N-(3-fluoro-4-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 167677135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).