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

C16H23Cl2N3O2 — CID 120559709

IUPAC4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-12(18)5-6-15(21)19-7-9-20(10-8-19)16(22)13-3-2-4-14(17)11-13;/h2-4,11-12H,5-10,18H2,1H3;1H
InChIKeyVSTJVHNLQKZDPH-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.17
Rot. Bonds4

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

4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 120559709) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID120559709
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-12(18)5-6-15(21)19-7-9-20(10-8-19)16(22)13-3-2-4-14(17)11-13;/h2-4,11-12H,5-10,18H2,1H3;1H
InChIKeyVSTJVHNLQKZDPH-UHFFFAOYSA-N
XLogP2.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 120559752
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119703804
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120984969
1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119747837
4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 120559897
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119302778
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803
4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120563235
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33138783
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 120559709) is 4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of 4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is VSTJVHNLQKZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-12(18)5-6-15(21)19-7-9-20(10-8-19)16(22)13-3-2-4-14(17)11-13;/h2-4,11-12H,5-10,18H2,1H3;1H.
What are the key properties of 4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.17, 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-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 120559709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).