N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide

C21H28N4O2 — CID 53070379

IUPACN-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C21H28N4O2/c26-20(22-16-9-3-1-2-4-10-16)15-8-7-13-25(14-15)19-21(27)24-18-12-6-5-11-17(18)23-19/h5-6,11-12,15-16H,1-4,7-10,13-14H2,(H,22,26)(H,24,27)
InChIKeyZMWKOJNBNMQBBL-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.98
Rot. Bonds3

About N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide

N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 53070379) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID53070379
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C21H28N4O2/c26-20(22-16-9-3-1-2-4-10-16)15-8-7-13-25(14-15)19-21(27)24-18-12-6-5-11-17(18)23-19/h5-6,11-12,15-16H,1-4,7-10,13-14H2,(H,22,26)(H,24,27)
InChIKeyZMWKOJNBNMQBBL-UHFFFAOYSA-N
XLogP2.98
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide 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

N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070397
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30447165
(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30453509
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070417
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522891
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 46324894
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (CID 53070379) is N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(c2nc3ccccc3[nH]c2=O)C1.
What is the InChIKey of N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is ZMWKOJNBNMQBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(22-16-9-3-1-2-4-10-16)15-8-7-13-25(14-15)19-21(27)24-18-12-6-5-11-17(18)23-19/h5-6,11-12,15-16H,1-4,7-10,13-14H2,(H,22,26)(H,24,27).
What are the key properties of N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53070379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).