N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide

C25H29N5O2 — CID 108554445

IUPACN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc2nc1C
InChIInChI=1S/C25H29N5O2/c1-16-17(2)27-23-15-19(7-10-22(23)26-16)24(31)28-20-11-13-30(14-12-20)25(32)18-5-8-21(9-6-18)29(3)4/h5-10,15,20H,11-14H2,1-4H3,(H,28,31)
InChIKeyRDHUFSQYZHHYMM-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.35
Rot. Bonds4

About N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide

N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 108554445) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID108554445
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc2nc1C
InChIInChI=1S/C25H29N5O2/c1-16-17(2)27-23-15-19(7-10-22(23)26-16)24(31)28-20-11-13-30(14-12-20)25(32)18-5-8-21(9-6-18)29(3)4/h5-10,15,20H,11-14H2,1-4H3,(H,28,31)
InChIKeyRDHUFSQYZHHYMM-UHFFFAOYSA-N
XLogP3.35
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554387
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
CID 108565713
2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
CID 108561509
3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
CID 108565725
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
CID 108554641
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide (CID 108554445) is N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc2nc1C.
What is the InChIKey of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is RDHUFSQYZHHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-16-17(2)27-23-15-19(7-10-22(23)26-16)24(31)28-20-11-13-30(14-12-20)25(32)18-5-8-21(9-6-18)29(3)4/h5-10,15,20H,11-14H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 108554445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).