N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide

C26H29ClF3N3O3 — CID 67025677

IUPACN-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CN(C(=O)C3CCNCC3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C26H29ClF3N3O3/c1-32(24(34)18-5-8-23(36-2)21(13-18)26(28,29)30)22-15-33(25(35)17-9-11-31-12-10-17)14-20(22)16-3-6-19(27)7-4-16/h3-8,13,17,20,22,31H,9-12,14-15H2,1-2H3
InChIKeyKFVCNNOOIJGSBN-UHFFFAOYSA-N
MW523.98 g/mol
LogP4.43
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide

N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 67025677) has the molecular formula C26H29ClF3N3O3 and a molecular weight of 523.98 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID67025677
Molecular FormulaC26H29ClF3N3O3
Molecular Weight523.98 g/mol
Exact Mass523.18
IUPAC NameN-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CN(C(=O)C3CCNCC3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C26H29ClF3N3O3/c1-32(24(34)18-5-8-23(36-2)21(13-18)26(28,29)30)22-15-33(25(35)17-9-11-31-12-10-17)14-20(22)16-3-6-19(27)7-4-16/h3-8,13,17,20,22,31H,9-12,14-15H2,1-2H3
InChIKeyKFVCNNOOIJGSBN-UHFFFAOYSA-N
XLogP4.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.98
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3S,4R)-4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
CID 44545657
N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-(1-ethylsulfonylpiperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
CID 44545515
N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
CID 87241696
4-chloro-N-[(3R,4S)-4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
CID 58009313
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-chlorophenyl)piperidin-4-yl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 68931769
4-chloro-N-[4-(4-chlorophenyl)-1-[1-(oxan-4-yl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
CID 67025679
4-chloro-N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(oxan-4-yl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
CID 44545660
N-[(3S,4R)-1-(3-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
CID 58009302
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-4-chloro-N-methyl-3-(trifluoromethyl)benzamide
CID 68930191
N-[(3R,4S)-4-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
CID 58009216
tert-butyl (3R,4R)-3-(4-chlorophenyl)-4-[[4-fluoro-3-(trifluoromethyl)benzoyl]-methylamino]piperidine-1-carboxylate
CID 91390539
N-[(4S)-4-(3,4-dichlorophenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
CID 143912988

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide (CID 67025677) is N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)N(C)C2CN(C(=O)C3CCNCC3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is KFVCNNOOIJGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF3N3O3/c1-32(24(34)18-5-8-23(36-2)21(13-18)26(28,29)30)22-15-33(25(35)17-9-11-31-12-10-17)14-20(22)16-3-6-19(27)7-4-16/h3-8,13,17,20,22,31H,9-12,14-15H2,1-2H3.
What are the key properties of N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 523.98 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 67025677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).