N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide

C22H24N4O — CID 72891203

IUPACN-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
SMILESCN(Cc1cnc2ccccc2n1)C(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C22H24N4O/c1-26(15-19-14-24-20-9-2-3-10-21(20)25-19)22(27)17-7-4-6-16(12-17)18-8-5-11-23-13-18/h2-4,6-7,9-10,12,14,18,23H,5,8,11,13,15H2,1H3
InChIKeyLKDHHKMEQRZVGA-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.37
Rot. Bonds4

About N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide

N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide (PubChem CID 72891203) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
PubChem CID72891203
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
SMILESCN(Cc1cnc2ccccc2n1)C(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C22H24N4O/c1-26(15-19-14-24-20-9-2-3-10-21(20)25-19)22(27)17-7-4-6-16(12-17)18-8-5-11-23-13-18/h2-4,6-7,9-10,12,14,18,23H,5,8,11,13,15H2,1H3
InChIKeyLKDHHKMEQRZVGA-UHFFFAOYSA-N
XLogP3.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-methylsulfanylphenyl)methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97188682
2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
CID 72878914
(3R,5S)-N-methyl-5-(pyrrolidine-1-carbonyl)-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
CID 72862355
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 77090443
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-piperidin-3-ylbenzamide
CID 72858448
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide
CID 90647316
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77095831
N-[[4-(dimethylamino)-6-[(3S)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 92624444
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide (CID 72891203) is N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide is CN(Cc1cnc2ccccc2n1)C(=O)c1cccc(C2CCCNC2)c1.
What is the InChIKey of N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide?
The InChIKey is LKDHHKMEQRZVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-26(15-19-14-24-20-9-2-3-10-21(20)25-19)22(27)17-7-4-6-16(12-17)18-8-5-11-23-13-18/h2-4,6-7,9-10,12,14,18,23H,5,8,11,13,15H2,1H3.
What are the key properties of N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide?
N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide is sourced from PubChem (CID 72891203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).