N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide

C24H30N4O3 — CID 56581428

IUPACN-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H30N4O3/c1-27(18-19-8-4-2-5-9-19)24(31)25-15-12-22(29)26-21-13-16-28(17-14-21)23(30)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,25,31)(H,26,29)
InChIKeyAUSVQAAPFRKLSZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.64
Rot. Bonds7

About N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide

N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide (PubChem CID 56581428) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
PubChem CID56581428
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H30N4O3/c1-27(18-19-8-4-2-5-9-19)24(31)25-15-12-22(29)26-21-13-16-28(17-14-21)23(30)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,25,31)(H,26,29)
InChIKeyAUSVQAAPFRKLSZ-UHFFFAOYSA-N
XLogP2.64
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451808
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 56516489
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
CID 119561837
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide
CID 166222378
3-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119411270
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119518811
1-benzyl-3-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56516014
3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
CID 56512790
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]-N-cyclohexylpropanamide;hydroiodide
CID 110951957
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide (CID 56581428) is N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
The InChIKey is AUSVQAAPFRKLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-27(18-19-8-4-2-5-9-19)24(31)25-15-12-22(29)26-21-13-16-28(17-14-21)23(30)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,25,31)(H,26,29).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide?
N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide has a molecular weight of 422.53 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide is sourced from PubChem (CID 56581428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).