(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide

C23H27FN2O2 — CID 95087652

IUPAC(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
SMILESCc1ccc(CC(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)cc1
InChIInChI=1S/C23H27FN2O2/c1-17-7-9-18(10-8-17)14-21(27)26-12-4-11-23(2,16-26)22(28)25-15-19-5-3-6-20(24)13-19/h3,5-10,13H,4,11-12,14-16H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyGRCLAHFOHBQOOX-QHCPKHFHSA-N
MW382.48 g/mol
LogP3.62
Rot. Bonds5

About (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide

(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide (PubChem CID 95087652) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
PubChem CID95087652
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
SMILESCc1ccc(CC(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)cc1
InChIInChI=1S/C23H27FN2O2/c1-17-7-9-18(10-8-17)14-21(27)26-12-4-11-23(2,16-26)22(28)25-15-19-5-3-6-20(24)13-19/h3,5-10,13H,4,11-12,14-16H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyGRCLAHFOHBQOOX-QHCPKHFHSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 95087648
1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117070
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087413
N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 53011180
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087326
1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117073
(3R)-1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087420
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide (CID 95087652) is (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide is Cc1ccc(CC(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)cc1.
What is the InChIKey of (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is GRCLAHFOHBQOOX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-17-7-9-18(10-8-17)14-21(27)26-12-4-11-23(2,16-26)22(28)25-15-19-5-3-6-20(24)13-19/h3,5-10,13H,4,11-12,14-16H2,1-2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide?
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 95087652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).