N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide

C21H20ClF3N2O2 — CID 50804466

IUPACN-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H20ClF3N2O2/c22-18-8-1-4-14(10-18)12-26-19(28)16-6-3-9-27(13-16)20(29)15-5-2-7-17(11-15)21(23,24)25/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,26,28)
InChIKeyRBKMVPALFZKSGS-UHFFFAOYSA-N
MW424.85 g/mol
LogP4.53
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide (PubChem CID 50804466) has the molecular formula C21H20ClF3N2O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
PubChem CID50804466
Molecular FormulaC21H20ClF3N2O2
Molecular Weight424.85 g/mol
Exact Mass424.12
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H20ClF3N2O2/c22-18-8-1-4-14(10-18)12-26-19(28)16-6-3-9-27(13-16)20(29)15-5-2-7-17(11-15)21(23,24)25/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,26,28)
InChIKeyRBKMVPALFZKSGS-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ssr-504734
CID 9954540
Z944
CID 44540045
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
1-(3-Chlorobenzoyl)piperazine
CID 1074765
N-methyl-SSR504734
CID 11704260
Benzamide derivative 11
CID 41306362
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
Benzamide derivative 8
CID 118607347
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
1-(3-Chlorobenzoyl)-4-(2-fluorobenzoyl)piperazine
CID 660542

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide (CID 50804466) is N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is RBKMVPALFZKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N2O2/c22-18-8-1-4-14(10-18)12-26-19(28)16-6-3-9-27(13-16)20(29)15-5-2-7-17(11-15)21(23,24)25/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,26,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 424.85 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50804466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).