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

C16H30ClN3O2 — CID 119715775

IUPAC3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-13(17)12-16(21)19-10-8-18(9-11-19)15(20)7-6-14-4-2-3-5-14;/h13-14H,2-12,17H2,1H3;1H
InChIKeyCSLNMBYAXFFWED-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.79
Rot. Bonds5

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

3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride (PubChem CID 119715775) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
PubChem CID119715775
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-13(17)12-16(21)19-10-8-18(9-11-19)15(20)7-6-14-4-2-3-5-14;/h13-14H,2-12,17H2,1H3;1H
InChIKeyCSLNMBYAXFFWED-UHFFFAOYSA-N
XLogP1.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
(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
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119859721
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
CID 119300410
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119743478

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride (CID 119715775) is 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride is CC(N)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.Cl.
What is the InChIKey of 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride?
The InChIKey is CSLNMBYAXFFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-13(17)12-16(21)19-10-8-18(9-11-19)15(20)7-6-14-4-2-3-5-14;/h13-14H,2-12,17H2,1H3;1H.
What are the key properties of 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride?
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119715775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).