N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide

C20H31N3O — CID 113076124

IUPACN-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-16(2)18-10-6-7-11-19(18)22-12-14-23(15-13-22)20(24)21-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,21,24)
InChIKeyKGAUSBXNTXPFOL-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.97
Rot. Bonds3

About N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide

N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113076124) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113076124
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-16(2)18-10-6-7-11-19(18)22-12-14-23(15-13-22)20(24)21-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,21,24)
InChIKeyKGAUSBXNTXPFOL-UHFFFAOYSA-N
XLogP3.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 17412310
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N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
CID 113080037
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CID 47127245
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
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4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113076124) is N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccccc1N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is KGAUSBXNTXPFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16(2)18-10-6-7-11-19(18)22-12-14-23(15-13-22)20(24)21-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113076124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).