(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide

C24H30N2O2 — CID 92585101

IUPAC(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O2/c1-4-22(27)26-16-8-15-24(18-26,23(28)25(2)3)17-19-11-13-21(14-12-19)20-9-6-5-7-10-20/h5-7,9-14H,4,8,15-18H2,1-3H3/t24-/m1/s1
InChIKeyKRPXXWYDVVKCID-XMMPIXPASA-N
MW378.52 g/mol
LogP4.00
Rot. Bonds5

About (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide

(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 92585101) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID92585101
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O2/c1-4-22(27)26-16-8-15-24(18-26,23(28)25(2)3)17-19-11-13-21(14-12-19)20-9-6-5-7-10-20/h5-7,9-14H,4,8,15-18H2,1-3H3/t24-/m1/s1
InChIKeyKRPXXWYDVVKCID-XMMPIXPASA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
(3S)-N,N-dimethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92562921
(3S)-3-[(4-phenylphenyl)methyl]-1-propanoyl-N-prop-2-enylpiperidine-3-carboxamide
CID 92585106
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
(3R)-N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585147
N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232254
N,N-dimethyl-1-propanoyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231225
1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232610

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 92585101) is (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is KRPXXWYDVVKCID-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O2/c1-4-22(27)26-16-8-15-24(18-26,23(28)25(2)3)17-19-11-13-21(14-12-19)20-9-6-5-7-10-20/h5-7,9-14H,4,8,15-18H2,1-3H3/t24-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 92585101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).