(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide

C24H28N2O2 — CID 93001712

IUPAC(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C24H28N2O2/c1-3-14-25-24(28)21-12-13-22(20-11-7-8-18(2)15-20)26(17-21)23(27)16-19-9-5-4-6-10-19/h3-11,15,21-22H,1,12-14,16-17H2,2H3,(H,25,28)/t21-,22+/m1/s1
InChIKeyUZYAXOVHUSIHBY-YADHBBJMSA-N
MW376.50 g/mol
LogP3.82
Rot. Bonds6

About (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide

(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 93001712) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID93001712
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C24H28N2O2/c1-3-14-25-24(28)21-12-13-22(20-11-7-8-18(2)15-20)26(17-21)23(27)16-19-9-5-4-6-10-19/h3-11,15,21-22H,1,12-14,16-17H2,2H3,(H,25,28)/t21-,22+/m1/s1
InChIKeyUZYAXOVHUSIHBY-YADHBBJMSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 46071991
N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869311
(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93328515
N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46071992
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93000723
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868375

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide (CID 93001712) is (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)Cc2ccccc2)C1.
What is the InChIKey of (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is UZYAXOVHUSIHBY-YADHBBJMSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-14-25-24(28)21-12-13-22(20-11-7-8-18(2)15-20)26(17-21)23(27)16-19-9-5-4-6-10-19/h3-11,15,21-22H,1,12-14,16-17H2,2H3,(H,25,28)/t21-,22+/m1/s1.
What are the key properties of (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide?
(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 93001712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).