2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride

C21H35ClN6O2 — CID 19744849

IUPAC2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1(CC(=O)NCCCCN2CCN(c3ncccn3)CC2)CCCC1
InChIInChI=1S/C21H34N6O2.ClH/c22-18(28)16-21(6-1-2-7-21)17-19(29)23-8-3-4-11-26-12-14-27(15-13-26)20-24-9-5-10-25-20;/h5,9-10H,1-4,6-8,11-17H2,(H2,22,28)(H,23,29);1H
InChIKeyKUJNPIOZWRBXFS-UHFFFAOYSA-N
MW439.00 g/mol
LogP1.74
Rot. Bonds10

About 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride

2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride (PubChem CID 19744849) has the molecular formula C21H35ClN6O2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride
PubChem CID19744849
Molecular FormulaC21H35ClN6O2
Molecular Weight439.00 g/mol
Exact Mass438.25
IUPAC Name2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1(CC(=O)NCCCCN2CCN(c3ncccn3)CC2)CCCC1
InChIInChI=1S/C21H34N6O2.ClH/c22-18(28)16-21(6-1-2-7-21)17-19(29)23-8-3-4-11-26-12-14-27(15-13-26)20-24-9-5-10-25-20;/h5,9-10H,1-4,6-8,11-17H2,(H2,22,28)(H,23,29);1H
InChIKeyKUJNPIOZWRBXFS-UHFFFAOYSA-N
XLogP1.74
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride?
The IUPAC name of 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride (CID 19744849) is 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride?
The canonical SMILES for 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride is Cl.NC(=O)CC1(CC(=O)NCCCCN2CCN(c3ncccn3)CC2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride?
The InChIKey is KUJNPIOZWRBXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O2.ClH/c22-18(28)16-21(6-1-2-7-21)17-19(29)23-8-3-4-11-26-12-14-27(15-13-26)20-24-9-5-10-25-20;/h5,9-10H,1-4,6-8,11-17H2,(H2,22,28)(H,23,29);1H.
What are the key properties of 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride?
2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride has a molecular weight of 439.00 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetamide;hydrochloride is sourced from PubChem (CID 19744849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).