4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide

C18H33N3O2 — CID 108569569

IUPAC4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-3-19(4-2)18(23)21-14-12-20(13-15-21)17(22)11-10-16-8-6-5-7-9-16/h16H,3-15H2,1-2H3
InChIKeyLOPMDGPMJZZXSO-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.95
Rot. Bonds5

About 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide

4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 108569569) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID108569569
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-3-19(4-2)18(23)21-14-12-20(13-15-21)17(22)11-10-16-8-6-5-7-9-16/h16H,3-15H2,1-2H3
InChIKeyLOPMDGPMJZZXSO-UHFFFAOYSA-N
XLogP2.95
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide (CID 108569569) is 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is LOPMDGPMJZZXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-19(4-2)18(23)21-14-12-20(13-15-21)17(22)11-10-16-8-6-5-7-9-16/h16H,3-15H2,1-2H3.
What are the key properties of 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 108569569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).