N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide

C23H29FN2O — CID 134799756

IUPACN-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C23H29FN2O/c1-3-17(2)25-23(27)18-12-14-26(15-13-18)16-19-8-4-5-9-20(19)21-10-6-7-11-22(21)24/h4-11,17-18H,3,12-16H2,1-2H3,(H,25,27)
InChIKeyZVXJJPNTSMJDRR-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.62
Rot. Bonds6

About N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide

N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 134799756) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID134799756
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC NameN-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C23H29FN2O/c1-3-17(2)25-23(27)18-12-14-26(15-13-18)16-19-8-4-5-9-20(19)21-10-6-7-11-22(21)24/h4-11,17-18H,3,12-16H2,1-2H3,(H,25,27)
InChIKeyZVXJJPNTSMJDRR-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
1-[(2-fluorophenyl)methyl]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013499
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 94014212
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134803038
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451
1-[(2-fluorophenyl)methyl]-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013641
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide (CID 134799756) is N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(Cc2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZVXJJPNTSMJDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-3-17(2)25-23(27)18-12-14-26(15-13-18)16-19-8-4-5-9-20(19)21-10-6-7-11-22(21)24/h4-11,17-18H,3,12-16H2,1-2H3,(H,25,27).
What are the key properties of N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134799756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).