1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride

C17H32ClN3O2 — CID 119686669

IUPAC1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-13(2)17(22)20-9-7-19(8-10-20)16(21)11-14(3)15-5-4-6-18-12-15;/h13-15,18H,4-12H2,1-3H3;1H
InChIKeyDQXUPOUDEGQXGP-UHFFFAOYSA-N
MW345.92 g/mol
LogP1.76
Rot. Bonds4

About 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride

1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride (PubChem CID 119686669) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
PubChem CID119686669
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-13(2)17(22)20-9-7-19(8-10-20)16(21)11-14(3)15-5-4-6-18-12-15;/h13-15,18H,4-12H2,1-3H3;1H
InChIKeyDQXUPOUDEGQXGP-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride with MolForge

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Related Compounds

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-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
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-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
1-[4-(2-methoxyethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838543
1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043600
1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride (CID 119686669) is 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride is CC(C)C(=O)N1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl.
What is the InChIKey of 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The InChIKey is DQXUPOUDEGQXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-13(2)17(22)20-9-7-19(8-10-20)16(21)11-14(3)15-5-4-6-18-12-15;/h13-15,18H,4-12H2,1-3H3;1H.
What are the key properties of 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119686669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).