N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride

C21H24ClN5O — CID 57395916

IUPACN-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCl.Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H23N5O.ClH/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26;/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27);1H
InChIKeyOFJDLSDRRRGLBI-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.87
Rot. Bonds4

About N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride

N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride (PubChem CID 57395916) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride
PubChem CID57395916
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC NameN-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCl.Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H23N5O.ClH/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26;/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27);1H
InChIKeyOFJDLSDRRRGLBI-UHFFFAOYSA-N
XLogP3.87
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-aminoquinoxalin-2-yl)amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 57401130
3-N-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]quinoxaline-2,3-diamine
CID 57399370
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55623134
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 41453944
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865174
4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 174503984

Frequently Asked Questions

What is the IUPAC name of N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride (CID 57395916) is N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride is Cl.Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is OFJDLSDRRRGLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.ClH/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26;/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27);1H.
What are the key properties of N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride?
N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 57395916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).