N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C21H22ClFN2O2 — CID 18103394

IUPACN-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C21H22ClFN2O2/c1-14(16-4-2-6-18(22)12-16)24-20(26)17-5-3-11-25(13-17)21(27)15-7-9-19(23)10-8-15/h2,4,6-10,12,14,17H,3,5,11,13H2,1H3,(H,24,26)
InChIKeyKJAAUIPXXULCTO-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.21
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 18103394) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID18103394
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C21H22ClFN2O2/c1-14(16-4-2-6-18(22)12-16)24-20(26)17-5-3-11-25(13-17)21(27)15-7-9-19(23)10-8-15/h2,4,6-10,12,14,17H,3,5,11,13H2,1H3,(H,24,26)
InChIKeyKJAAUIPXXULCTO-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18143619
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 51923958
N-[1-(4-bromophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 112761911
N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622815
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 18103394) is N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is KJAAUIPXXULCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-14(16-4-2-6-18(22)12-16)24-20(26)17-5-3-11-25(13-17)21(27)15-7-9-19(23)10-8-15/h2,4,6-10,12,14,17H,3,5,11,13H2,1H3,(H,24,26).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 388.87 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 18103394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).