4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide

C26H33ClN4O2 — CID 52665658

IUPAC4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl)C1CCCCC1
InChIInChI=1S/C26H33ClN4O2/c1-29(22-10-6-3-7-11-22)25(32)23-13-12-21(18-24(23)27)28-26(33)31-16-14-30(15-17-31)19-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17,19H2,1H3,(H,28,33)
InChIKeyLASXETFQFUWRFU-UHFFFAOYSA-N
MW469.03 g/mol
LogP5.09
Rot. Bonds5

About 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide

4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide (PubChem CID 52665658) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide
PubChem CID52665658
Molecular FormulaC26H33ClN4O2
Molecular Weight469.03 g/mol
Exact Mass468.23
IUPAC Name4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl)C1CCCCC1
InChIInChI=1S/C26H33ClN4O2/c1-29(22-10-6-3-7-11-22)25(32)23-13-12-21(18-24(23)27)28-26(33)31-16-14-30(15-17-31)19-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17,19H2,1H3,(H,28,33)
InChIKeyLASXETFQFUWRFU-UHFFFAOYSA-N
XLogP5.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.03
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 11576501
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717876
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-[[4-(aminomethyl)benzoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119286321
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 119717907
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119286306
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717906
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119717898
2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 60539246

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide (CID 52665658) is 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide is CN(C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl)C1CCCCC1.
What is the InChIKey of 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide?
The InChIKey is LASXETFQFUWRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O2/c1-29(22-10-6-3-7-11-22)25(32)23-13-12-21(18-24(23)27)28-26(33)31-16-14-30(15-17-31)19-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17,19H2,1H3,(H,28,33).
What are the key properties of 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide?
4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide has a molecular weight of 469.03 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 52665658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).