2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide

C14H26N4O2 — CID 47025084

IUPAC2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N4O2/c1-11(13(19)16-14(20)15-2)17-7-9-18(10-8-17)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H2,15,16,19,20)
InChIKeyXLWKDFCNKNAXCB-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.39
Rot. Bonds3

About 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide

2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 47025084) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
PubChem CID47025084
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N4O2/c1-11(13(19)16-14(20)15-2)17-7-9-18(10-8-17)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H2,15,16,19,20)
InChIKeyXLWKDFCNKNAXCB-UHFFFAOYSA-N
XLogP0.39
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide (CID 47025084) is 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is XLWKDFCNKNAXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(13(19)16-14(20)15-2)17-7-9-18(10-8-17)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H2,15,16,19,20).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide?
2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 47025084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).