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

C36H42N4O4 — CID 44825559

IUPACN-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C36H42N4O4/c1-39(25-27-8-4-2-5-9-27)35(43)30-14-18-31(19-15-30)37-33(41)24-26-12-16-32(17-13-26)38-34(42)28-20-22-40(23-21-28)36(44)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,28-29H,3,6-7,10-11,20-25H2,1H3,(H,37,41)(H,38,42)
InChIKeyQDTRXBYACSHFDP-UHFFFAOYSA-N
MW594.76 g/mol
LogP5.90
Rot. Bonds9

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

N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide (PubChem CID 44825559) has the molecular formula C36H42N4O4 and a molecular weight of 594.76 g/mol. Its IUPAC name is N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
PubChem CID44825559
Molecular FormulaC36H42N4O4
Molecular Weight594.76 g/mol
Exact Mass594.32
IUPAC NameN-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C36H42N4O4/c1-39(25-27-8-4-2-5-9-27)35(43)30-14-18-31(19-15-30)37-33(41)24-26-12-16-32(17-13-26)38-34(42)28-20-22-40(23-21-28)36(44)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,28-29H,3,6-7,10-11,20-25H2,1H3,(H,37,41)(H,38,42)
InChIKeyQDTRXBYACSHFDP-UHFFFAOYSA-N
XLogP5.90
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentanecarbonyl)-N-[4-[2-[4-[methyl(2-phenylethyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825536
N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide
CID 44825625
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
1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
CID 44825551
N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56588395
N-[4-[2-[3-[cyclohexyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 44825733
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
1-(cyclopropanecarbonyl)-N-[4-[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825596
N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 56844185
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42673232

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide (CID 44825559) is N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide?
The InChIKey is QDTRXBYACSHFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N4O4/c1-39(25-27-8-4-2-5-9-27)35(43)30-14-18-31(19-15-30)37-33(41)24-26-12-16-32(17-13-26)38-34(42)28-20-22-40(23-21-28)36(44)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,28-29H,3,6-7,10-11,20-25H2,1H3,(H,37,41)(H,38,42).
What are the key properties of N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide?
N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide has a molecular weight of 594.76 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 44825559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).