1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

C23H29FN2O — CID 56675544

IUPAC1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O/c1-23(2,20-8-10-21(24)11-9-20)17-25-22(27)19-12-14-26(15-13-19)16-18-6-4-3-5-7-18/h3-11,19H,12-17H2,1-2H3,(H,25,27)
InChIKeyISTBVQBRNDWPGP-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.13
Rot. Bonds6

About 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide (PubChem CID 56675544) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide
PubChem CID56675544
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O/c1-23(2,20-8-10-21(24)11-9-20)17-25-22(27)19-12-14-26(15-13-19)16-18-6-4-3-5-7-18/h3-11,19H,12-17H2,1-2H3,(H,25,27)
InChIKeyISTBVQBRNDWPGP-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Ksp-IA
CID 24901494
(1S)-1-{[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}-2,2-dimethylpropylamine
CID 24901496
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-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide (CID 56675544) is 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide?
The InChIKey is ISTBVQBRNDWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-23(2,20-8-10-21(24)11-9-20)17-25-22(27)19-12-14-26(15-13-19)16-18-6-4-3-5-7-18/h3-11,19H,12-17H2,1-2H3,(H,25,27).
What are the key properties of 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide?
1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 56675544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).