4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide

C25H38N4O3 — CID 46032282

IUPAC4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(NC(=O)CC(C)C)C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C25H38N4O3/c1-18(2)17-22(30)27-23(24(31)28-13-5-4-6-14-28)20-11-15-29(16-12-20)25(32)26-21-9-7-19(3)8-10-21/h7-10,18,20,23H,4-6,11-17H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyIJKLRBQVPYOFSC-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.78
Rot. Bonds6

About 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide

4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 46032282) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID46032282
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(NC(=O)CC(C)C)C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C25H38N4O3/c1-18(2)17-22(30)27-23(24(31)28-13-5-4-6-14-28)20-11-15-29(16-12-20)25(32)26-21-9-7-19(3)8-10-21/h7-10,18,20,23H,4-6,11-17H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyIJKLRBQVPYOFSC-UHFFFAOYSA-N
XLogP3.78
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1,3-benzodioxole-5-carbonylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46020701
N-[(1R)-1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-3-methylbutanamide
CID 93231281
2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone
CID 175083337
1-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075376
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 93231303
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
2-methyl-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93196510
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-[2-[[(3S)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065270
2-methyl-3-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoic acid
CID 122066142

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 46032282) is 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C(NC(=O)CC(C)C)C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is IJKLRBQVPYOFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-18(2)17-22(30)27-23(24(31)28-13-5-4-6-14-28)20-11-15-29(16-12-20)25(32)26-21-9-7-19(3)8-10-21/h7-10,18,20,23H,4-6,11-17H2,1-3H3,(H,26,32)(H,27,30).
What are the key properties of 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide?
4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46032282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).