4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride

C15H23Cl2N3O — CID 120564149

IUPAC4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-12(17)5-6-15(20)19-9-7-18(8-10-19)14-4-2-3-13(16)11-14;/h2-4,11-12H,5-10,17H2,1H3;1H
InChIKeyHOCANYAICBFINE-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.54
Rot. Bonds4

About 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride

4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 120564149) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.27 g/mol. Its IUPAC name is 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID120564149
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.27 g/mol
Exact Mass331.12
IUPAC Name4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-12(17)5-6-15(20)19-9-7-18(8-10-19)14-4-2-3-13(16)11-14;/h2-4,11-12H,5-10,17H2,1H3;1H
InChIKeyHOCANYAICBFINE-UHFFFAOYSA-N
XLogP2.54
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120559709
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one;dihydrochloride
CID 120564928
3-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119874784
5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one
CID 82846569
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115179
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 120564149) is 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is HOCANYAICBFINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.ClH/c1-12(17)5-6-15(20)19-9-7-18(8-10-19)14-4-2-3-13(16)11-14;/h2-4,11-12H,5-10,17H2,1H3;1H.
What are the key properties of 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride?
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 332.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 120564149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).