N-cyclohexyl-4-ethylpiperazine-1-carboxamide

C13H25N3O — CID 858169

IUPACN-cyclohexyl-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-15-8-10-16(11-9-15)13(17)14-12-6-4-3-5-7-12/h12H,2-11H2,1H3,(H,14,17)
InChIKeyYSFREPVDDBXGAA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.67
Rot. Bonds2

About N-cyclohexyl-4-ethylpiperazine-1-carboxamide

N-cyclohexyl-4-ethylpiperazine-1-carboxamide (PubChem CID 858169) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-cyclohexyl-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-ethylpiperazine-1-carboxamide
PubChem CID858169
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-cyclohexyl-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-15-8-10-16(11-9-15)13(17)14-12-6-4-3-5-7-12/h12H,2-11H2,1H3,(H,14,17)
InChIKeyYSFREPVDDBXGAA-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-ethylpiperazine-1-carboxamide (CID 858169) is N-cyclohexyl-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-ethylpiperazine-1-carboxamide?
The InChIKey is YSFREPVDDBXGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-15-8-10-16(11-9-15)13(17)14-12-6-4-3-5-7-12/h12H,2-11H2,1H3,(H,14,17).
What are the key properties of N-cyclohexyl-4-ethylpiperazine-1-carboxamide?
N-cyclohexyl-4-ethylpiperazine-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 858169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).