N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C24H31N5O3 — CID 108552552

IUPACN-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1nc2ccc(C(=O)N3CCC(NC(=O)C4CC(=O)N(C(C)C)C4)CC3)cc2nc1C
InChIInChI=1S/C24H31N5O3/c1-14(2)29-13-18(12-22(29)30)23(31)27-19-7-9-28(10-8-19)24(32)17-5-6-20-21(11-17)26-16(4)15(3)25-20/h5-6,11,14,18-19H,7-10,12-13H2,1-4H3,(H,27,31)
InChIKeyQBKTUJWYBAQIFI-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108552552) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108552552
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1nc2ccc(C(=O)N3CCC(NC(=O)C4CC(=O)N(C(C)C)C4)CC3)cc2nc1C
InChIInChI=1S/C24H31N5O3/c1-14(2)29-13-18(12-22(29)30)23(31)27-19-7-9-28(10-8-19)24(32)17-5-6-20-21(11-17)26-16(4)15(3)25-20/h5-6,11,14,18-19H,7-10,12-13H2,1-4H3,(H,27,31)
InChIKeyQBKTUJWYBAQIFI-UHFFFAOYSA-N
XLogP2.22
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552495
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552516
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
CID 108565725
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
N,N-diethyl-4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxamide
CID 108560686
6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
CID 108565713
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
N-[1-(1,2-dimethylbenzimidazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51101306
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108560662

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108552552) is N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1nc2ccc(C(=O)N3CCC(NC(=O)C4CC(=O)N(C(C)C)C4)CC3)cc2nc1C.
What is the InChIKey of N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QBKTUJWYBAQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-14(2)29-13-18(12-22(29)30)23(31)27-19-7-9-28(10-8-19)24(32)17-5-6-20-21(11-17)26-16(4)15(3)25-20/h5-6,11,14,18-19H,7-10,12-13H2,1-4H3,(H,27,31).
What are the key properties of N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108552552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).