2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate

C19H23ClN4O3 — CID 108561509

IUPAC2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCc1nc2ccc(C(=O)NC3CCN(C(=O)OCCCl)CC3)cc2nc1C
InChIInChI=1S/C19H23ClN4O3/c1-12-13(2)22-17-11-14(3-4-16(17)21-12)18(25)23-15-5-8-24(9-6-15)19(26)27-10-7-20/h3-4,11,15H,5-10H2,1-2H3,(H,23,25)
InChIKeyHULDFROIOGJGJK-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.82
Rot. Bonds4

About 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate

2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 108561509) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
PubChem CID108561509
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCc1nc2ccc(C(=O)NC3CCN(C(=O)OCCCl)CC3)cc2nc1C
InChIInChI=1S/C19H23ClN4O3/c1-12-13(2)22-17-11-14(3-4-16(17)21-12)18(25)23-15-5-8-24(9-6-15)19(26)27-10-7-20/h3-4,11,15H,5-10H2,1-2H3,(H,23,25)
InChIKeyHULDFROIOGJGJK-UHFFFAOYSA-N
XLogP2.82
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 108559884
3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
CID 108565725
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554387
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553625

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate (CID 108561509) is 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate is Cc1nc2ccc(C(=O)NC3CCN(C(=O)OCCCl)CC3)cc2nc1C.
What is the InChIKey of 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is HULDFROIOGJGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12-13(2)22-17-11-14(3-4-16(17)21-12)18(25)23-15-5-8-24(9-6-15)19(26)27-10-7-20/h3-4,11,15H,5-10H2,1-2H3,(H,23,25).
What are the key properties of 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate?
2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 390.87 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108561509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).