1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide

C25H32N2O3 — CID 110243852

IUPAC1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC(C)C)C1
InChIInChI=1S/C25H32N2O3/c1-19(2)26-24(29)25(13-8-14-27(18-25)23(28)17-30-3)16-20-9-7-12-22(15-20)21-10-5-4-6-11-21/h4-7,9-12,15,19H,8,13-14,16-18H2,1-3H3,(H,26,29)
InChIKeyOHPTUSXBACNLBZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.68
Rot. Bonds7

About 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide

1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 110243852) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID110243852
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC(C)C)C1
InChIInChI=1S/C25H32N2O3/c1-19(2)26-24(29)25(13-8-14-27(18-25)23(28)17-30-3)16-20-9-7-12-22(15-20)21-10-5-4-6-11-21/h4-7,9-12,15,19H,8,13-14,16-18H2,1-3H3,(H,26,29)
InChIKeyOHPTUSXBACNLBZ-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methoxyacetyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92579626
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
(3S)-1-benzoyl-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579643
(3S)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579617
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
(3S)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579563
(3R)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579562
(3S)-1-(4-aminobenzoyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579902
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110243976
N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110229733
(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579676

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide (CID 110243852) is 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide is COCC(=O)N1CCCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC(C)C)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is OHPTUSXBACNLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19(2)26-24(29)25(13-8-14-27(18-25)23(28)17-30-3)16-20-9-7-12-22(15-20)21-10-5-4-6-11-21/h4-7,9-12,15,19H,8,13-14,16-18H2,1-3H3,(H,26,29).
What are the key properties of 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110243852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).