2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride

C26H38ClN5O2 — CID 165116219

IUPAC2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride
SMILESCNCCN(C)C(=O)c1cccc([C@@H](C)NC(=O)c2cc(N3CCN(C)CC3)ccc2C)c1.Cl
InChIInChI=1S/C26H37N5O2.ClH/c1-19-9-10-23(31-15-13-29(4)14-16-31)18-24(19)25(32)28-20(2)21-7-6-8-22(17-21)26(33)30(5)12-11-27-3;/h6-10,17-18,20,27H,11-16H2,1-5H3,(H,28,32);1H/t20-;/m1./s1
InChIKeyWQLYWCQZWCUGNE-VEIFNGETSA-N
MW488.08 g/mol
LogP2.95
Rot. Bonds8

About 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride

2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride (PubChem CID 165116219) has the molecular formula C26H38ClN5O2 and a molecular weight of 488.08 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride
PubChem CID165116219
Molecular FormulaC26H38ClN5O2
Molecular Weight488.08 g/mol
Exact Mass487.27
IUPAC Name2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride
SMILESCNCCN(C)C(=O)c1cccc([C@@H](C)NC(=O)c2cc(N3CCN(C)CC3)ccc2C)c1.Cl
InChIInChI=1S/C26H37N5O2.ClH/c1-19-9-10-23(31-15-13-29(4)14-16-31)18-24(19)25(32)28-20(2)21-7-6-8-22(17-21)26(33)30(5)12-11-27-3;/h6-10,17-18,20,27H,11-16H2,1-5H3,(H,28,32);1H/t20-;/m1./s1
InChIKeyWQLYWCQZWCUGNE-VEIFNGETSA-N
XLogP2.95
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.08
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(1R)-1-[3-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride
CID 165115845
2-methyl-N-[1-[3-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide
CID 167225758
N-[(1R)-1-[3-(1,2-dihydroxyethyl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165115783
N-[(1R)-1-[3-[3-[[(2R)-2,3-dihydroxypropyl]carbamoyl]phenyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 172511816
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(piperidine-1-carbonyl)phenyl]phenyl]ethyl]benzamide
CID 165115986
N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116065
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide
CID 165116284
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116022
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 165115886
4-[3-[(1R)-1-[[2-methyl-5-(4-methylpiperazin-1-yl)benzoyl]amino]ethyl]phenyl]thiophene-2-carboxylic acid
CID 165115795
2,3,5-trimethyl-4-[3-[(1R)-1-[[2-methyl-5-(4-methylpiperazin-1-yl)benzoyl]amino]ethyl]phenyl]pyrrole-1-carboxamide
CID 175508745
5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 165116020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride?
The IUPAC name of 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride (CID 165116219) is 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride is CNCCN(C)C(=O)c1cccc([C@@H](C)NC(=O)c2cc(N3CCN(C)CC3)ccc2C)c1.Cl.
What is the InChIKey of 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride?
The InChIKey is WQLYWCQZWCUGNE-VEIFNGETSA-N. The full InChI is InChI=1S/C26H37N5O2.ClH/c1-19-9-10-23(31-15-13-29(4)14-16-31)18-24(19)25(32)28-20(2)21-7-6-8-22(17-21)26(33)30(5)12-11-27-3;/h6-10,17-18,20,27H,11-16H2,1-5H3,(H,28,32);1H/t20-;/m1./s1.
What are the key properties of 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride?
2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride has a molecular weight of 488.08 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 165116219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).