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

C26H33FN2O — CID 56668677

IUPAC1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H33FN2O/c27-24-11-9-23(10-12-24)26(15-5-2-6-16-26)20-28-25(30)22-13-17-29(18-14-22)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,28,30)
InChIKeyVLFMQJUTHAKCCC-UHFFFAOYSA-N
MW408.56 g/mol
LogP5.06
Rot. Bonds6

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

1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide (PubChem CID 56668677) has the molecular formula C26H33FN2O and a molecular weight of 408.56 g/mol. Its IUPAC name is 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide
PubChem CID56668677
Molecular FormulaC26H33FN2O
Molecular Weight408.56 g/mol
Exact Mass408.26
IUPAC Name1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H33FN2O/c27-24-11-9-23(10-12-24)26(15-5-2-6-16-26)20-28-25(30)22-13-17-29(18-14-22)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,28,30)
InChIKeyVLFMQJUTHAKCCC-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.56
LogP ≤ 55.06
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
(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-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 10460034
(S)-N-(3-(4-(2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415755
A59U94Jde5
CID 157010706
2-(1-adamantyl)-N-(4-fluorobenzyl)acetamide
CID 2850229
1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903395
N-benzyl-2-[4-(3-fluorobenzyl)-1-piperazinyl]acetamide
CID 6464809
4-(4-benzhydrylpiperazin-1-yl)-N-butyl-4-oxobutanamide;hydrochloride
CID 23724279

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide (CID 56668677) is 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide?
The InChIKey is VLFMQJUTHAKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O/c27-24-11-9-23(10-12-24)26(15-5-2-6-16-26)20-28-25(30)22-13-17-29(18-14-22)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,28,30).
What are the key properties of 1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide?
1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide has a molecular weight of 408.56 g/mol, XLogP of 5.06, 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)cyclohexyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56668677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).