1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide

C24H31Cl2N5O4 — CID 94571451

IUPAC1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@H]3CCCC[C@@H]32)CC1
InChIInChI=1S/C24H31Cl2N5O4/c25-15-9-16(26)11-17(10-15)28-21(32)12-20-24(35)29-18-3-1-2-4-19(18)31(20)13-22(33)30-7-5-14(6-8-30)23(27)34/h9-11,14,18-20H,1-8,12-13H2,(H2,27,34)(H,28,32)(H,29,35)/t18-,19-,20+/m0/s1
InChIKeyNAZFUABUFZOVAW-SLFFLAALSA-N
MW524.45 g/mol
LogP2.16
Rot. Bonds6

About 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 94571451) has the molecular formula C24H31Cl2N5O4 and a molecular weight of 524.45 g/mol. Its IUPAC name is 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID94571451
Molecular FormulaC24H31Cl2N5O4
Molecular Weight524.45 g/mol
Exact Mass523.18
IUPAC Name1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@H]3CCCC[C@@H]32)CC1
InChIInChI=1S/C24H31Cl2N5O4/c25-15-9-16(26)11-17(10-15)28-21(32)12-20-24(35)29-18-3-1-2-4-19(18)31(20)13-22(33)30-7-5-14(6-8-30)23(27)34/h9-11,14,18-20H,1-8,12-13H2,(H2,27,34)(H,28,32)(H,29,35)/t18-,19-,20+/m0/s1
InChIKeyNAZFUABUFZOVAW-SLFFLAALSA-N
XLogP2.16
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-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

2-[(2S,4aR,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(3,5-dichlorophenyl)acetamide
CID 7325356
2-[(2R,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-1-ium-2-yl]-N-(3,5-dichlorophenyl)acetamide
CID 11897623
2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-1-ium-2-yl]-N-(3,5-dichlorophenyl)acetamide
CID 11897621
1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide
CID 17385988
(2R,4aR,8aR)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 124832535
(2R,4aR,8aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-3-oxo-N-phenyl-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 98337621
2-[(2R,4aS,8aS)-1-(4-methoxybenzoyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]-N-(3-chlorophenyl)acetamide
CID 98338099
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
2-[(2S,4aS,8aR)-3-oxo-1-propanoyl-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 11898654
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
dimethyl 5-[[2-[(2R,4aS,8aS)-1-(2-methylpropanoyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 26183339
N-(3,5-dimethylphenyl)-2-[1-(4-methoxybenzoyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetamide
CID 4890022

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide (CID 94571451) is 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N[C@H]3CCCC[C@@H]32)CC1.
What is the InChIKey of 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is NAZFUABUFZOVAW-SLFFLAALSA-N. The full InChI is InChI=1S/C24H31Cl2N5O4/c25-15-9-16(26)11-17(10-15)28-21(32)12-20-24(35)29-18-3-1-2-4-19(18)31(20)13-22(33)30-7-5-14(6-8-30)23(27)34/h9-11,14,18-20H,1-8,12-13H2,(H2,27,34)(H,28,32)(H,29,35)/t18-,19-,20+/m0/s1.
What are the key properties of 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 524.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,4aS,8aS)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 94571451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).