(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide

C24H30N2O3 — CID 25379326

IUPAC(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CC(C)C)C3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)14-23(27)26-13-5-7-20(16-26)24(28)25-21-11-9-18(10-12-21)19-6-4-8-22(15-19)29-3/h4,6,8-12,15,17,20H,5,7,13-14,16H2,1-3H3,(H,25,28)/t20-/m0/s1
InChIKeyNSOLNPZTHBMFJK-FQEVSTJZSA-N
MW394.52 g/mol
LogP4.59
Rot. Bonds6

About (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide

(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide (PubChem CID 25379326) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
PubChem CID25379326
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CC(C)C)C3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-17(2)14-23(27)26-13-5-7-20(16-26)24(28)25-21-11-9-18(10-12-21)19-6-4-8-22(15-19)29-3/h4,6,8-12,15,17,20H,5,7,13-14,16H2,1-3H3,(H,25,28)/t20-/m0/s1
InChIKeyNSOLNPZTHBMFJK-FQEVSTJZSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45207506
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 26397760
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42459003
(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
CID 97274473
methyl 4-[(3S)-3-[[4-(3-fluorophenyl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate
CID 26327809
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 26871829
N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
CID 119481601
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 25482833
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide (CID 25379326) is (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CC(C)C)C3)cc2)c1.
What is the InChIKey of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide?
The InChIKey is NSOLNPZTHBMFJK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)14-23(27)26-13-5-7-20(16-26)24(28)25-21-11-9-18(10-12-21)19-6-4-8-22(15-19)29-3/h4,6,8-12,15,17,20H,5,7,13-14,16H2,1-3H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide?
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 25379326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).