2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride

C18H28Cl2N4O2 — CID 119840839

IUPAC2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N4O2.2ClH/c19-15-7-6-14(12-15)18(24)22-10-8-21(9-11-22)13-17(23)20-16-4-2-1-3-5-16;;/h1-5,14-15H,6-13,19H2,(H,20,23);2*1H
InChIKeyQESWYDKRLAFOKG-UHFFFAOYSA-N
MW403.35 g/mol
LogP1.74
Rot. Bonds4

About 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride

2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride (PubChem CID 119840839) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride
PubChem CID119840839
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC Name2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N4O2.2ClH/c19-15-7-6-14(12-15)18(24)22-10-8-21(9-11-22)13-17(23)20-16-4-2-1-3-5-16;;/h1-5,14-15H,6-13,19H2,(H,20,23);2*1H
InChIKeyQESWYDKRLAFOKG-UHFFFAOYSA-N
XLogP1.74
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminocyclopentanecarbonyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119692604
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149812
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821
2,2,2-trifluoroethyl 4-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 32695486
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-phenylacetamide
CID 120797578
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
CID 51333103
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-[4-(4-bromophenyl)sulfanylphenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 17426326
(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839310
2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 74244540
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride (CID 119840839) is 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride?
The InChIKey is QESWYDKRLAFOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c19-15-7-6-14(12-15)18(24)22-10-8-21(9-11-22)13-17(23)20-16-4-2-1-3-5-16;;/h1-5,14-15H,6-13,19H2,(H,20,23);2*1H.
What are the key properties of 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride?
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride is sourced from PubChem (CID 119840839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).