3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide

C19H23ClN4O2 — CID 108565725

IUPAC3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nc2ccc(C(=O)N3CCC(NC(=O)CCCl)CC3)cc2nc1C
InChIInChI=1S/C19H23ClN4O2/c1-12-13(2)22-17-11-14(3-4-16(17)21-12)19(26)24-9-6-15(7-10-24)23-18(25)5-8-20/h3-4,11,15H,5-10H2,1-2H3,(H,23,25)
InChIKeyWBPQDWFAMLRSDL-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.60
Rot. Bonds4

About 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide

3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide (PubChem CID 108565725) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
PubChem CID108565725
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nc2ccc(C(=O)N3CCC(NC(=O)CCCl)CC3)cc2nc1C
InChIInChI=1S/C19H23ClN4O2/c1-12-13(2)22-17-11-14(3-4-16(17)21-12)19(26)24-9-6-15(7-10-24)23-18(25)5-8-20/h3-4,11,15H,5-10H2,1-2H3,(H,23,25)
InChIKeyWBPQDWFAMLRSDL-UHFFFAOYSA-N
XLogP2.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553625
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
CID 108561509
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
CID 108565713
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552552

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide (CID 108565725) is 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide is Cc1nc2ccc(C(=O)N3CCC(NC(=O)CCCl)CC3)cc2nc1C.
What is the InChIKey of 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is WBPQDWFAMLRSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-13(2)22-17-11-14(3-4-16(17)21-12)19(26)24-9-6-15(7-10-24)23-18(25)5-8-20/h3-4,11,15H,5-10H2,1-2H3,(H,23,25).
What are the key properties of 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide?
3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 374.87 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108565725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).