N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C38H40N4O4 — CID 56588395

IUPACN-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2)c1
InChIInChI=1S/C38H40N4O4/c1-41(27-29-12-6-3-7-13-29)38(46)32-15-9-17-34(26-32)39-35(43)25-30-14-8-16-33(24-30)40-37(45)31-20-22-42(23-21-31)36(44)19-18-28-10-4-2-5-11-28/h2-17,24,26,31H,18-23,25,27H2,1H3,(H,39,43)(H,40,45)
InChIKeyQCEVYLZDBYISJE-UHFFFAOYSA-N
MW616.76 g/mol
LogP5.95
Rot. Bonds11

About N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 56588395) has the molecular formula C38H40N4O4 and a molecular weight of 616.76 g/mol. Its IUPAC name is N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID56588395
Molecular FormulaC38H40N4O4
Molecular Weight616.76 g/mol
Exact Mass616.30
IUPAC NameN-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2)c1
InChIInChI=1S/C38H40N4O4/c1-41(27-29-12-6-3-7-13-29)38(46)32-15-9-17-34(26-32)39-35(43)25-30-14-8-16-33(24-30)40-37(45)31-20-22-42(23-21-31)36(44)19-18-28-10-4-2-5-11-28/h2-17,24,26,31H,18-23,25,27H2,1H3,(H,39,43)(H,40,45)
InChIKeyQCEVYLZDBYISJE-UHFFFAOYSA-N
XLogP5.95
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[3-[cyclohexyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 44825733
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 44825559
methyl 3-[2-[3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]phenyl]ethynyl]benzoate
CID 55633143
N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841183
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54830775
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 36784446
N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410338
1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825633
1-(cyclopentanecarbonyl)-N-[4-[2-[3-[cyclopentyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825530
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 56588395) is N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2)c1.
What is the InChIKey of N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is QCEVYLZDBYISJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N4O4/c1-41(27-29-12-6-3-7-13-29)38(46)32-15-9-17-34(26-32)39-35(43)25-30-14-8-16-33(24-30)40-37(45)31-20-22-42(23-21-31)36(44)19-18-28-10-4-2-5-11-28/h2-17,24,26,31H,18-23,25,27H2,1H3,(H,39,43)(H,40,45).
What are the key properties of N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 616.76 g/mol, XLogP of 5.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 56588395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).