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

C26H33N3O2 — CID 124968901

IUPAC1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C26H33N3O2/c1-18(2)28-25(31)26(10-13-29(14-11-26)24(30)23-15-19(23)3)16-20-6-8-21(9-7-20)22-5-4-12-27-17-22/h4-9,12,17-19,23H,10-11,13-16H2,1-3H3,(H,28,31)/t19-,23-/m1/s1
InChIKeyJEOPYLISHAGJOU-AUSIDOKSSA-N
MW419.57 g/mol
LogP4.08
Rot. Bonds6

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

1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 124968901) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID124968901
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C26H33N3O2/c1-18(2)28-25(31)26(10-13-29(14-11-26)24(30)23-15-19(23)3)16-20-6-8-21(9-7-20)22-5-4-12-27-17-22/h4-9,12,17-19,23H,10-11,13-16H2,1-3H3,(H,28,31)/t19-,23-/m1/s1
InChIKeyJEOPYLISHAGJOU-AUSIDOKSSA-N
XLogP4.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083745
1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231368
1-(3-methylbutanoyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231367
4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95805736
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
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
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95805840
(3R)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 95848779
(3R)-3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 92579849

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 124968901) is 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JEOPYLISHAGJOU-AUSIDOKSSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18(2)28-25(31)26(10-13-29(14-11-26)24(30)23-15-19(23)3)16-20-6-8-21(9-7-20)22-5-4-12-27-17-22/h4-9,12,17-19,23H,10-11,13-16H2,1-3H3,(H,28,31)/t19-,23-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124968901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).