N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C21H34N4O — CID 119589185

IUPACN-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NC(CN)C3CCCCC3)cc2)CC1
InChIInChI=1S/C21H34N4O/c1-24-11-13-25(14-12-24)16-17-7-9-19(10-8-17)21(26)23-20(15-22)18-5-3-2-4-6-18/h7-10,18,20H,2-6,11-16,22H2,1H3,(H,23,26)
InChIKeyNMWLAFMCDUNJPV-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.07
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 119589185) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID119589185
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NC(CN)C3CCCCC3)cc2)CC1
InChIInChI=1S/C21H34N4O/c1-24-11-13-25(14-12-24)16-17-7-9-19(10-8-17)21(26)23-20(15-22)18-5-3-2-4-6-18/h7-10,18,20H,2-6,11-16,22H2,1H3,(H,23,26)
InChIKeyNMWLAFMCDUNJPV-UHFFFAOYSA-N
XLogP2.07
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 119590373
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
(2S)-3-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]butanoic acid
CID 119359444
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114
N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119591807
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119590390
N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119568876

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 119589185) is N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)NC(CN)C3CCCCC3)cc2)CC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is NMWLAFMCDUNJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-24-11-13-25(14-12-24)16-17-7-9-19(10-8-17)21(26)23-20(15-22)18-5-3-2-4-6-18/h7-10,18,20H,2-6,11-16,22H2,1H3,(H,23,26).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 358.53 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 119589185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).