4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

C24H36N4O3 — CID 46020588

IUPAC4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)N2CCCCC2C)CC1
InChIInChI=1S/C24H36N4O3/c1-17(2)25-24(31)27-15-12-19(13-16-27)21(23(30)28-14-8-7-9-18(28)3)26-22(29)20-10-5-4-6-11-20/h4-6,10-11,17-19,21H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)
InChIKeyJZDHBKJLBHAUSJ-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.02
Rot. Bonds5

About 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 46020588) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID46020588
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)N2CCCCC2C)CC1
InChIInChI=1S/C24H36N4O3/c1-17(2)25-24(31)27-15-12-19(13-16-27)21(23(30)28-14-8-7-9-18(28)3)26-22(29)20-10-5-4-6-11-20/h4-6,10-11,17-19,21H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)
InChIKeyJZDHBKJLBHAUSJ-UHFFFAOYSA-N
XLogP3.02
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200031
4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200092
4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200024
N-[2-(2-methylpiperidin-1-yl)-2-oxo-1-piperidin-4-ylethyl]benzamide
CID 24714954
4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200079
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200047
N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 93200095
N-(3-chlorophenyl)-4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 93200094
4-[(1R)-1-[(3-methoxybenzoyl)amino]-2-oxo-2-pyrrolidin-1-ylethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200337
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 46020588) is 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)N2CCCCC2C)CC1.
What is the InChIKey of 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is JZDHBKJLBHAUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-17(2)25-24(31)27-15-12-19(13-16-27)21(23(30)28-14-8-7-9-18(28)3)26-22(29)20-10-5-4-6-11-20/h4-6,10-11,17-19,21H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29).
What are the key properties of 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46020588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).