1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride

C21H38ClN3O2 — CID 119715757

IUPAC1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C21H37N3O2.ClH/c1-17(19-7-4-10-22-16-19)15-21(26)24-13-11-23(12-14-24)20(25)9-8-18-5-2-3-6-18;/h17-19,22H,2-16H2,1H3;1H
InChIKeyYJVRXBKWQPYUIM-UHFFFAOYSA-N
MW400.01 g/mol
LogP3.08
Rot. Bonds6

About 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride

1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride (PubChem CID 119715757) has the molecular formula C21H38ClN3O2 and a molecular weight of 400.01 g/mol. Its IUPAC name is 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
PubChem CID119715757
Molecular FormulaC21H38ClN3O2
Molecular Weight400.01 g/mol
Exact Mass399.27
IUPAC Name1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C21H37N3O2.ClH/c1-17(19-7-4-10-22-16-19)15-21(26)24-13-11-23(12-14-24)20(25)9-8-18-5-2-3-6-18;/h17-19,22H,2-16H2,1H3;1H
InChIKeyYJVRXBKWQPYUIM-UHFFFAOYSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.01
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-[4-(2-methoxyethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838543
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849539

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride (CID 119715757) is 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride is CC(CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)C1CCCNC1.Cl.
What is the InChIKey of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The InChIKey is YJVRXBKWQPYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2.ClH/c1-17(19-7-4-10-22-16-19)15-21(26)24-13-11-23(12-14-24)20(25)9-8-18-5-2-3-6-18;/h17-19,22H,2-16H2,1H3;1H.
What are the key properties of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride has a molecular weight of 400.01 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119715757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).