1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide

C25H31FN2O — CID 56678875

IUPAC1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31FN2O/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)19-27-24(29)21-12-16-28(17-13-21)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,27,29)
InChIKeyATTQJMOSGZTEIE-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.67
Rot. Bonds6

About 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide

1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide (PubChem CID 56678875) has the molecular formula C25H31FN2O and a molecular weight of 394.53 g/mol. Its IUPAC name is 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
PubChem CID56678875
Molecular FormulaC25H31FN2O
Molecular Weight394.53 g/mol
Exact Mass394.24
IUPAC Name1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31FN2O/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)19-27-24(29)21-12-16-28(17-13-21)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,27,29)
InChIKeyATTQJMOSGZTEIE-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659185
N-[(3-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659186
N-[[4-Phenyl-1-(phenylmethyl)-4-piperidinyl]methyl]formamide
CID 23538
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
CID 285516
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-fluorobenzamide hydrochloride
CID 14783877
(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204463
N-benzyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776412
N-benzyl-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 2604336
N-benzyl-2-[4-(3-fluorobenzyl)-1-piperazinyl]acetamide
CID 6464809
N-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 9797419
N-[1-(3,4-Difluoro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 9819510
N-[1-(3-Fluoro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 9840310

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide (CID 56678875) is 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide?
The InChIKey is ATTQJMOSGZTEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)19-27-24(29)21-12-16-28(17-13-21)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,27,29).
What are the key properties of 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide?
1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide has a molecular weight of 394.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56678875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).