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

C19H32Cl2N4O — CID 119477158

IUPACN-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCN1CCN(Cc2cccc(C(=O)NC3CCC(N)CC3)c2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-22-9-11-23(12-10-22)14-15-3-2-4-16(13-15)19(24)21-18-7-5-17(20)6-8-18;;/h2-4,13,17-18H,5-12,14,20H2,1H3,(H,21,24);2*1H
InChIKeyUWIBYHPAYVTUQB-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.28
Rot. Bonds4

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

N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (PubChem CID 119477158) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
PubChem CID119477158
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC NameN-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCN1CCN(Cc2cccc(C(=O)NC3CCC(N)CC3)c2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-22-9-11-23(12-10-22)14-15-3-2-4-16(13-15)19(24)21-18-7-5-17(20)6-8-18;;/h2-4,13,17-18H,5-12,14,20H2,1H3,(H,21,24);2*1H
InChIKeyUWIBYHPAYVTUQB-UHFFFAOYSA-N
XLogP2.28
TPSA61.60 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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
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CID 119507486
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
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CID 136587620
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone;dihydrochloride
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N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (CID 119477158) is N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is CN1CCN(Cc2cccc(C(=O)NC3CCC(N)CC3)c2)CC1.Cl.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The InChIKey is UWIBYHPAYVTUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c1-22-9-11-23(12-10-22)14-15-3-2-4-16(13-15)19(24)21-18-7-5-17(20)6-8-18;;/h2-4,13,17-18H,5-12,14,20H2,1H3,(H,21,24);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119477158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).