4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide

C19H33N3O — CID 113073163

IUPAC4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C19H33N3O/c23-19(20-18-9-5-2-6-10-18)22-15-13-21(14-16-22)12-11-17-7-3-1-4-8-17/h7,18H,1-6,8-16H2,(H,20,23)
InChIKeyIOEWCBVXCNKSPH-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.54
Rot. Bonds4

About 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide

4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 113073163) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID113073163
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C19H33N3O/c23-19(20-18-9-5-2-6-10-18)22-15-13-21(14-16-22)12-11-17-7-3-1-4-8-17/h7,18H,1-6,8-16H2,(H,20,23)
InChIKeyIOEWCBVXCNKSPH-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
4-[2-(cyclohexen-1-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104669
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
CID 78973033
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104787
4-[2-(cyclohexen-1-yl)ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113104746
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 113073111

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide (CID 113073163) is 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is IOEWCBVXCNKSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c23-19(20-18-9-5-2-6-10-18)22-15-13-21(14-16-22)12-11-17-7-3-1-4-8-17/h7,18H,1-6,8-16H2,(H,20,23).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 319.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 113073163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).