(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide

C24H30N2O3 — CID 92585095

IUPAC(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)NC)C1
InChIInChI=1S/C24H30N2O3/c1-4-22(27)26-15-5-14-24(17-26,23(28)25-2)16-18-6-8-19(9-7-18)20-10-12-21(29-3)13-11-20/h6-13H,4-5,14-17H2,1-3H3,(H,25,28)/t24-/m1/s1
InChIKeyQZEXNAPVMHEFAR-XMMPIXPASA-N
MW394.52 g/mol
LogP3.67
Rot. Bonds6

About (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide

(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide (PubChem CID 92585095) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
PubChem CID92585095
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)NC)C1
InChIInChI=1S/C24H30N2O3/c1-4-22(27)26-15-5-14-24(17-26,23(28)25-2)16-18-6-8-19(9-7-18)20-10-12-21(29-3)13-11-20/h6-13H,4-5,14-17H2,1-3H3,(H,25,28)/t24-/m1/s1
InChIKeyQZEXNAPVMHEFAR-XMMPIXPASA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232610
(3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92584962
(3S)-N-ethyl-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 92591842
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 95851579
(3S)-3-[(4-phenylphenyl)methyl]-1-propanoyl-N-prop-2-enylpiperidine-3-carboxamide
CID 92585106
3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 110232546
1-[2-(4-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231207
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
(3R)-N-methyl-1-(2-phenoxyacetyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609411

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide (CID 92585095) is (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)NC)C1.
What is the InChIKey of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide?
The InChIKey is QZEXNAPVMHEFAR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-22(27)26-15-5-14-24(17-26,23(28)25-2)16-18-6-8-19(9-7-18)20-10-12-21(29-3)13-11-20/h6-13H,4-5,14-17H2,1-3H3,(H,25,28)/t24-/m1/s1.
What are the key properties of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide?
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 92585095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).