(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C18H26ClN3O2 — CID 119472389

IUPAC(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-14-13-19-9-12-21(14)18(23)16-7-10-20(11-8-16)17(22)15-5-3-2-4-6-15;/h2-6,14,16,19H,7-13H2,1H3;1H
InChIKeyPIRBBLLPJVIBPH-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.78
Rot. Bonds2

About (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119472389) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119472389
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-14-13-19-9-12-21(14)18(23)16-7-10-20(11-8-16)17(22)15-5-3-2-4-6-15;/h2-6,14,16,19H,7-13H2,1H3;1H
InChIKeyPIRBBLLPJVIBPH-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119470130
(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
CID 119470241
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734626
(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
CID 154896164
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94861219
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119472389) is (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is PIRBBLLPJVIBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-14-13-19-9-12-21(14)18(23)16-7-10-20(11-8-16)17(22)15-5-3-2-4-6-15;/h2-6,14,16,19H,7-13H2,1H3;1H.
What are the key properties of (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119472389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).