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

C21H23N5O — CID 54765288

IUPACN-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESNc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H23N5O/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)
InChIKeySXTDBNDGQWAIKW-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.45
Rot. Bonds4

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

N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 54765288) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide
PubChem CID54765288
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESNc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H23N5O/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)
InChIKeySXTDBNDGQWAIKW-UHFFFAOYSA-N
XLogP3.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mocetinostat
CID 9865515
N-(6-methyl-2-pyridinyl)-6-quinoxalinecarboxamide
CID 829895
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
CID 10448986
1-Benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
CID 67251476
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
Cambridge id 6030410
CID 761228
N-[6-[methyl(propan-2-yl)amino]-1,5-naphthyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143489
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968

Frequently Asked Questions

What is the IUPAC name of N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide (CID 54765288) is N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide is Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is SXTDBNDGQWAIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/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).
What are the key properties of N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.45, 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 is sourced from PubChem (CID 54765288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).