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

C17H32ClN3O2 — CID 120560088

IUPAC4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-14(18)6-8-16(21)19-10-12-20(13-11-19)17(22)9-7-15-4-2-3-5-15;/h14-15H,2-13,18H2,1H3;1H
InChIKeyORRMIBZIPUUUOM-UHFFFAOYSA-N
MW345.92 g/mol
LogP2.18
Rot. Bonds6

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

4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 120560088) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID120560088
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-14(18)6-8-16(21)19-10-12-20(13-11-19)17(22)9-7-15-4-2-3-5-15;/h14-15H,2-13,18H2,1H3;1H
InChIKeyORRMIBZIPUUUOM-UHFFFAOYSA-N
XLogP2.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78856763
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
CID 119300410
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 114797469

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 120560088) is 4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.Cl.
What is the InChIKey of 4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is ORRMIBZIPUUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-14(18)6-8-16(21)19-10-12-20(13-11-19)17(22)9-7-15-4-2-3-5-15;/h14-15H,2-13,18H2,1H3;1H.
What are the key properties of 4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.18, 6 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-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 120560088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).