(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide

C24H34N4O2 — CID 30454576

IUPAC(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCn1c(=O)c(N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)nc2ccccc21
InChIInChI=1S/C24H34N4O2/c1-2-28-21-15-9-8-14-20(21)26-22(24(28)30)27-16-10-11-18(17-27)23(29)25-19-12-6-4-3-5-7-13-19/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyUQQFPTNOGWEFMK-SFHVURJKSA-N
MW410.56 g/mol
LogP3.86
Rot. Bonds4

About (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide

(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 30454576) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID30454576
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCn1c(=O)c(N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)nc2ccccc21
InChIInChI=1S/C24H34N4O2/c1-2-28-21-15-9-8-14-20(21)26-22(24(28)30)27-16-10-11-18(17-27)23(29)25-19-12-6-4-3-5-7-13-19/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyUQQFPTNOGWEFMK-SFHVURJKSA-N
XLogP3.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-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-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 46324894
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454638
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522891
N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53027910
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070379
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
(3S)-N-cyclooctyl-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869797
1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 53214191

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide (CID 30454576) is (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide is CCn1c(=O)c(N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)nc2ccccc21.
What is the InChIKey of (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is UQQFPTNOGWEFMK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-2-28-21-15-9-8-14-20(21)26-22(24(28)30)27-16-10-11-18(17-27)23(29)25-19-12-6-4-3-5-7-13-19/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3,(H,25,29)/t18-/m0/s1.
What are the key properties of (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30454576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).