(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide

C23H27FN2O3 — CID 95087666

IUPAC(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCC[C@](C)(C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C23H27FN2O3/c1-3-29-20-11-5-4-10-19(20)21(27)26-13-7-12-23(2,16-26)22(28)25-15-17-8-6-9-18(24)14-17/h4-6,8-11,14H,3,7,12-13,15-16H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyLAQVOUYAQLOFOZ-QHCPKHFHSA-N
MW398.48 g/mol
LogP3.78
Rot. Bonds6

About (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide

(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 95087666) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
PubChem CID95087666
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCC[C@](C)(C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C23H27FN2O3/c1-3-29-20-11-5-4-10-19(20)21(27)26-13-7-12-23(2,16-26)22(28)25-15-17-8-6-9-18(24)14-17/h4-6,8-11,14H,3,7,12-13,15-16H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyLAQVOUYAQLOFOZ-QHCPKHFHSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117030
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011146
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 95087648
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 53011180
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087652
(3S)-1-(2-chlorobenzoyl)-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087455
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 93071343
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide
CID 95087546

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide (CID 95087666) is (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide is CCOc1ccccc1C(=O)N1CCC[C@](C)(C(=O)NCc2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is LAQVOUYAQLOFOZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-3-29-20-11-5-4-10-19(20)21(27)26-13-7-12-23(2,16-26)22(28)25-15-17-8-6-9-18(24)14-17/h4-6,8-11,14H,3,7,12-13,15-16H2,1-2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95087666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).