(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide

C16H21ClFN3O2 — CID 139267758

IUPAC(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C16H21ClFN3O2/c1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1
InChIKeyYXSFKFUFRNSJGC-NSHDSACASA-N
MW341.81 g/mol
LogP3.25
Rot. Bonds4

About (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide

(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide (PubChem CID 139267758) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide
PubChem CID139267758
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C16H21ClFN3O2/c1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1
InChIKeyYXSFKFUFRNSJGC-NSHDSACASA-N
XLogP3.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 139267757
methyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 139267756
(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 139267759
(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
CID 139267761
1-(4-Chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 6463672
N-(3-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 581073
N-(3,4-dichlorophenyl)-4-[(3R)-1-ethylpiperidine-3-carbonyl]piperazine-1-carboxamide
CID 11690139
Jrc-II-191
CID 46186917
N-(4-chlorophenyl)-3-(3-(methylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882972
1-(4-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783215
1-(3-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783220

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide (CID 139267758) is (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide is CCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide?
The InChIKey is YXSFKFUFRNSJGC-NSHDSACASA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1.
What are the key properties of (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide has a molecular weight of 341.81 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 139267758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).