N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C24H31N3O2 — CID 110083907

IUPACN-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C24H31N3O2/c1-18(2)14-22(28)27-12-9-24(10-13-27,23(29)25-3)16-19-6-4-7-20(15-19)21-8-5-11-26-17-21/h4-8,11,15,17-18H,9-10,12-14,16H2,1-3H3,(H,25,29)
InChIKeyMUTQIKJSOAIZLM-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.69
Rot. Bonds6

About N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083907) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083907
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C24H31N3O2/c1-18(2)14-22(28)27-12-9-24(10-13-27,23(29)25-3)16-19-6-4-7-20(15-19)21-8-5-11-26-17-21/h4-8,11,15,17-18H,9-10,12-14,16H2,1-3H3,(H,25,29)
InChIKeyMUTQIKJSOAIZLM-UHFFFAOYSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805774
1-(3-methylbutanoyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231367
N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083910
1-[(3-fluorophenyl)methyl]-N-methyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229581
N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129360854
N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 125015982
(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578984
1-[2-(3-methylphenyl)acetyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805777
4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047
1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229548
1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084037
1-(2-cyclopentylacetyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083957

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083907) is N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MUTQIKJSOAIZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(2)14-22(28)27-12-9-24(10-13-27,23(29)25-3)16-19-6-4-7-20(15-19)21-8-5-11-26-17-21/h4-8,11,15,17-18H,9-10,12-14,16H2,1-3H3,(H,25,29).
What are the key properties of N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).