N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide

C16H31N3O — CID 112837772

IUPACN-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCCC2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-2-18-11-13-19(14-12-18)16(20)17-10-6-9-15-7-4-3-5-8-15/h15H,2-14H2,1H3,(H,17,20)
InChIKeyXLMDFKBZZMPOIA-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.69
Rot. Bonds5

About N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide

N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide (PubChem CID 112837772) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide
PubChem CID112837772
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCCC2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-2-18-11-13-19(14-12-18)16(20)17-10-6-9-15-7-4-3-5-8-15/h15H,2-14H2,1H3,(H,17,20)
InChIKeyXLMDFKBZZMPOIA-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide (CID 112837772) is N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NCCCC2CCCCC2)CC1.
What is the InChIKey of N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide?
The InChIKey is XLMDFKBZZMPOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-18-11-13-19(14-12-18)16(20)17-10-6-9-15-7-4-3-5-8-15/h15H,2-14H2,1H3,(H,17,20).
What are the key properties of N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide?
N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 112837772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).