1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

C17H27ClN4O — CID 120754690

IUPAC1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1CCN(C(=O)CN2CCNCC2c2cccnc2)CC1.Cl
InChIInChI=1S/C17H26N4O.ClH/c1-14-4-8-20(9-5-14)17(22)13-21-10-7-19-12-16(21)15-3-2-6-18-11-15;/h2-3,6,11,14,16,19H,4-5,7-10,12-13H2,1H3;1H
InChIKeyXOVPMKSZQKWPIA-UHFFFAOYSA-N
MW338.88 g/mol
LogP1.71
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 120754690) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID120754690
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC1CCN(C(=O)CN2CCNCC2c2cccnc2)CC1.Cl
InChIInChI=1S/C17H26N4O.ClH/c1-14-4-8-20(9-5-14)17(22)13-21-10-7-19-12-16(21)15-3-2-6-18-11-15;/h2-3,6,11,14,16,19H,4-5,7-10,12-13H2,1H3;1H
InChIKeyXOVPMKSZQKWPIA-UHFFFAOYSA-N
XLogP1.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120754386
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120755543
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768179
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (CID 120754690) is 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is CC1CCN(C(=O)CN2CCNCC2c2cccnc2)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is XOVPMKSZQKWPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.ClH/c1-14-4-8-20(9-5-14)17(22)13-21-10-7-19-12-16(21)15-3-2-6-18-11-15;/h2-3,6,11,14,16,19H,4-5,7-10,12-13H2,1H3;1H.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120754690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).