3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride

C19H32Cl2N4O — CID 120601515

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cccc(CN3CCN(C)CC3)c2)CCN1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-15-12-18(6-7-20-15)21-19(24)17-5-3-4-16(13-17)14-23-10-8-22(2)9-11-23;;/h3-5,13,15,18,20H,6-12,14H2,1-2H3,(H,21,24);2*1H
InChIKeyGEQLVQZYQYHGTI-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.15
Rot. Bonds4

About 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride

3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride (PubChem CID 120601515) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
PubChem CID120601515
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cccc(CN3CCN(C)CC3)c2)CCN1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-15-12-18(6-7-20-15)21-19(24)17-5-3-4-16(13-17)14-23-10-8-22(2)9-11-23;;/h3-5,13,15,18,20H,6-12,14H2,1-2H3,(H,21,24);2*1H
InChIKeyGEQLVQZYQYHGTI-UHFFFAOYSA-N
XLogP2.15
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119477158
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120599363
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyrrolidin-3-ylbenzamide
CID 119452950
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 120600958
N-(2-methylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120601523
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride (CID 120601515) is 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride is CC1CC(NC(=O)c2cccc(CN3CCN(C)CC3)c2)CCN1.Cl.Cl.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride?
The InChIKey is GEQLVQZYQYHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c1-15-12-18(6-7-20-15)21-19(24)17-5-3-4-16(13-17)14-23-10-8-22(2)9-11-23;;/h3-5,13,15,18,20H,6-12,14H2,1-2H3,(H,21,24);2*1H.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride?
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120601515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).