1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C24H30N4O3 — CID 55896170

IUPAC1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)C(NC(=O)c2ccccc2)C(C)C)C1
InChIInChI=1S/C24H30N4O3/c1-16(2)20(26-22(29)18-10-5-4-6-11-18)24(31)28-14-8-12-19(15-28)23(30)27-21-17(3)9-7-13-25-21/h4-7,9-11,13,16,19-20H,8,12,14-15H2,1-3H3,(H,26,29)(H,25,27,30)
InChIKeyWYDKSDZKBGJOBV-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.02
Rot. Bonds6

About 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55896170) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55896170
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)C(NC(=O)c2ccccc2)C(C)C)C1
InChIInChI=1S/C24H30N4O3/c1-16(2)20(26-22(29)18-10-5-4-6-11-18)24(31)28-14-8-12-19(15-28)23(30)27-21-17(3)9-7-13-25-21/h4-7,9-11,13,16,19-20H,8,12,14-15H2,1-3H3,(H,26,29)(H,25,27,30)
InChIKeyWYDKSDZKBGJOBV-UHFFFAOYSA-N
XLogP3.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
1-[2-(2,5-dichlorophenyl)sulfanylpropanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896307
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3S)-1-[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173939
N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide
CID 55895162
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
2-methyl-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119489416
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55896170) is 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)C(NC(=O)c2ccccc2)C(C)C)C1.
What is the InChIKey of 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is WYDKSDZKBGJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16(2)20(26-22(29)18-10-5-4-6-11-18)24(31)28-14-8-12-19(15-28)23(30)27-21-17(3)9-7-13-25-21/h4-7,9-11,13,16,19-20H,8,12,14-15H2,1-3H3,(H,26,29)(H,25,27,30).
What are the key properties of 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55896170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).