3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride

C19H33Cl3N4O — CID 119901932

IUPAC3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.NC1CCC(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H30N4O.3ClH/c20-17-8-7-16(15-17)19(24)21-9-4-10-22-11-13-23(14-12-22)18-5-2-1-3-6-18;;;/h1-3,5-6,16-17H,4,7-15,20H2,(H,21,24);3*1H
InChIKeyYUWCEYBUUOVFDD-UHFFFAOYSA-N
MW439.86 g/mol
LogP2.71
Rot. Bonds6

About 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride

3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride (PubChem CID 119901932) has the molecular formula C19H33Cl3N4O and a molecular weight of 439.86 g/mol. Its IUPAC name is 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
PubChem CID119901932
Molecular FormulaC19H33Cl3N4O
Molecular Weight439.86 g/mol
Exact Mass438.17
IUPAC Name3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.NC1CCC(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H30N4O.3ClH/c20-17-8-7-16(15-17)19(24)21-9-4-10-22-11-13-23(14-12-22)18-5-2-1-3-6-18;;;/h1-3,5-6,16-17H,4,7-15,20H2,(H,21,24);3*1H
InChIKeyYUWCEYBUUOVFDD-UHFFFAOYSA-N
XLogP2.71
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide
CID 86878613
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
N-[3-(4-phenylpiperazin-1-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 33134437
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119850090
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride
CID 119901924

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride?
The IUPAC name of 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride (CID 119901932) is 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride is Cl.Cl.Cl.NC1CCC(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride?
The InChIKey is YUWCEYBUUOVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.3ClH/c20-17-8-7-16(15-17)19(24)21-9-4-10-22-11-13-23(14-12-22)18-5-2-1-3-6-18;;;/h1-3,5-6,16-17H,4,7-15,20H2,(H,21,24);3*1H.
What are the key properties of 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride?
3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride has a molecular weight of 439.86 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride is sourced from PubChem (CID 119901932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).