(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone

C22H23N3O3 — CID 95556864

IUPAC(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(c3cnc4ccccc4n3)C2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-19-10-9-15(12-20(19)28-2)22(26)16-6-5-11-25(14-16)21-13-23-17-7-3-4-8-18(17)24-21/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m0/s1
InChIKeyRLKPUWXRWXMIJZ-INIZCTEOSA-N
MW377.44 g/mol
LogP3.75
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone (PubChem CID 95556864) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
PubChem CID95556864
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(c3cnc4ccccc4n3)C2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-19-10-9-15(12-20(19)28-2)22(26)16-6-5-11-25(14-16)21-13-23-17-7-3-4-8-18(17)24-21/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m0/s1
InChIKeyRLKPUWXRWXMIJZ-INIZCTEOSA-N
XLogP3.75
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
CID 25373372
(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 56861214
6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95550702
(3,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45203336
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 95502493
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 46354237
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone (CID 95556864) is (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone is COc1ccc(C(=O)[C@H]2CCCN(c3cnc4ccccc4n3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone?
The InChIKey is RLKPUWXRWXMIJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-19-10-9-15(12-20(19)28-2)22(26)16-6-5-11-25(14-16)21-13-23-17-7-3-4-8-18(17)24-21/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m0/s1.
What are the key properties of (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 95556864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).