(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride

C17H26Cl2N4O2 — CID 119470241

IUPAC(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
SMILESCC1CNCCN1C(=O)C1CCCN(C(=O)c2ccncc2)C1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-13-11-19-8-10-21(13)17(23)15-3-2-9-20(12-15)16(22)14-4-6-18-7-5-14;;/h4-7,13,15,19H,2-3,8-12H2,1H3;2*1H
InChIKeyINCDXGUXGYSJKD-UHFFFAOYSA-N
MW389.33 g/mol
LogP1.60
Rot. Bonds2

About (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride

(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride (PubChem CID 119470241) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
PubChem CID119470241
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Name(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
SMILESCC1CNCCN1C(=O)C1CCCN(C(=O)c2ccncc2)C1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-13-11-19-8-10-21(13)17(23)15-3-2-9-20(12-15)16(22)14-4-6-18-7-5-14;;/h4-7,13,15,19H,2-3,8-12H2,1H3;2*1H
InChIKeyINCDXGUXGYSJKD-UHFFFAOYSA-N
XLogP1.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
CID 167885425
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120737862
cyclopropyl-[3-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 119472927
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
(2-methyl-1,4-diazepan-1-yl)-pyridin-4-ylmethanone
CID 82242079
(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
CID 124917954
[(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 124607742
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 119517024
N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 120575634
(2-methylpiperazin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119473386

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride (CID 119470241) is (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride is CC1CNCCN1C(=O)C1CCCN(C(=O)c2ccncc2)C1.Cl.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride?
The InChIKey is INCDXGUXGYSJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2ClH/c1-13-11-19-8-10-21(13)17(23)15-3-2-9-20(12-15)16(22)14-4-6-18-7-5-14;;/h4-7,13,15,19H,2-3,8-12H2,1H3;2*1H.
What are the key properties of (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride?
(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride has a molecular weight of 389.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride is sourced from PubChem (CID 119470241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).