4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide

C19H32N4O2 — CID 24716271

IUPAC4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-2-9-20-19(25)23-14-12-21(13-15-23)17(16-7-3-4-8-16)18(24)22-10-5-6-11-22/h2,16-17H,1,3-15H2,(H,20,25)
InChIKeyORLNYHBNLZKAAG-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.68
Rot. Bonds5

About 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide

4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 24716271) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID24716271
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-2-9-20-19(25)23-14-12-21(13-15-23)17(16-7-3-4-8-16)18(24)22-10-5-6-11-22/h2,16-17H,1,3-15H2,(H,20,25)
InChIKeyORLNYHBNLZKAAG-UHFFFAOYSA-N
XLogP1.68
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide (CID 24716271) is 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1.
What is the InChIKey of 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is ORLNYHBNLZKAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-2-9-20-19(25)23-14-12-21(13-15-23)17(16-7-3-4-8-16)18(24)22-10-5-6-11-22/h2,16-17H,1,3-15H2,(H,20,25).
What are the key properties of 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 24716271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).