N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide

C13H23N3O — CID 17174410

IUPACN-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C13H23N3O/c1-2-7-15-8-10-16(11-9-15)13(17)14-12-5-3-4-6-12/h2,12H,1,3-11H2,(H,14,17)
InChIKeyMHDQJIFNOZJJRQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.44
Rot. Bonds3

About N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide

N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 17174410) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID17174410
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C13H23N3O/c1-2-7-15-8-10-16(11-9-15)13(17)14-12-5-3-4-6-12/h2,12H,1,3-11H2,(H,14,17)
InChIKeyMHDQJIFNOZJJRQ-UHFFFAOYSA-N
XLogP1.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide (CID 17174410) is N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is MHDQJIFNOZJJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-7-15-8-10-16(11-9-15)13(17)14-12-5-3-4-6-12/h2,12H,1,3-11H2,(H,14,17).
What are the key properties of N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide?
N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 17174410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).