1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C24H31N3O3 — CID 110083745

IUPAC1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1
InChIInChI=1S/C24H31N3O3/c1-18(2)26-23(29)24(10-13-27(14-11-24)22(28)17-30-3)15-19-6-8-20(9-7-19)21-5-4-12-25-16-21/h4-9,12,16,18H,10-11,13-15,17H2,1-3H3,(H,26,29)
InChIKeyUJEGHHLJXFQBEK-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.07
Rot. Bonds7

About 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083745) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083745
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1
InChIInChI=1S/C24H31N3O3/c1-18(2)26-23(29)24(10-13-27(14-11-24)22(28)17-30-3)15-19-6-8-20(9-7-19)21-5-4-12-25-16-21/h4-9,12,16,18H,10-11,13-15,17H2,1-3H3,(H,26,29)
InChIKeyUJEGHHLJXFQBEK-UHFFFAOYSA-N
XLogP3.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbutanoyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231367
1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124968901
1-benzyl-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129460090
(3R)-1-benzoyl-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579911
(3S)-1-benzoyl-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579910
1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231368
N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231370
(3S)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579964
(3S)-1-(2-methoxyacetyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92579626
(3R)-3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 92579849
1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620731
N-(1-hydroxypropan-2-yl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082863

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083745) is 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is COCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UJEGHHLJXFQBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(2)26-23(29)24(10-13-27(14-11-24)22(28)17-30-3)15-19-6-8-20(9-7-19)21-5-4-12-25-16-21/h4-9,12,16,18H,10-11,13-15,17H2,1-3H3,(H,26,29).
What are the key properties of 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).