(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide

C23H29FN2O — CID 94024744

IUPAC(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1
InChIInChI=1S/C23H29FN2O/c1-3-22(19-10-6-17(2)7-11-19)25-23(27)20-5-4-14-26(16-20)15-18-8-12-21(24)13-9-18/h6-13,20,22H,3-5,14-16H2,1-2H3,(H,25,27)/t20-,22+/m1/s1
InChIKeyQPKWTDWYEPBHIU-IRLDBZIGSA-N
MW368.50 g/mol
LogP4.61
Rot. Bonds6

About (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide

(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 94024744) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
PubChem CID94024744
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1
InChIInChI=1S/C23H29FN2O/c1-3-22(19-10-6-17(2)7-11-19)25-23(27)20-5-4-14-26(16-20)15-18-8-12-21(24)13-9-18/h6-13,20,22H,3-5,14-16H2,1-2H3,(H,25,27)/t20-,22+/m1/s1
InChIKeyQPKWTDWYEPBHIU-IRLDBZIGSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 94024103
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
1-(dimethylsulfamoyl)-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 43876701

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide (CID 94024744) is (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide is CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is QPKWTDWYEPBHIU-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-3-22(19-10-6-17(2)7-11-19)25-23(27)20-5-4-14-26(16-20)15-18-8-12-21(24)13-9-18/h6-13,20,22H,3-5,14-16H2,1-2H3,(H,25,27)/t20-,22+/m1/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide?
(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 94024744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).