(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone

C24H27N3O3 — CID 25373372

IUPAC(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4nc3C)C2)cc1OC
InChIInChI=1S/C24H27N3O3/c1-16-21(26-20-9-5-4-8-19(20)25-16)15-27-12-6-7-18(14-27)24(28)17-10-11-22(29-2)23(13-17)30-3/h4-5,8-11,13,18H,6-7,12,14-15H2,1-3H3/t18-/m1/s1
InChIKeySXIWPXVEWOYLHT-GOSISDBHSA-N
MW405.50 g/mol
LogP4.05
Rot. Bonds6

About (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone (PubChem CID 25373372) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
PubChem CID25373372
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4nc3C)C2)cc1OC
InChIInChI=1S/C24H27N3O3/c1-16-21(26-20-9-5-4-8-19(20)25-16)15-27-12-6-7-18(14-27)24(28)17-10-11-22(29-2)23(13-17)30-3/h4-5,8-11,13,18H,6-7,12,14-15H2,1-3H3/t18-/m1/s1
InChIKeySXIWPXVEWOYLHT-GOSISDBHSA-N
XLogP4.05
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45203336
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
CID 45238376
(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
CID 95556864
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
(3,4-dimethoxyphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25478429
(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516133
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 45209304
(4-chlorophenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42361324

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone (CID 25373372) is (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone is COc1ccc(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4nc3C)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is SXIWPXVEWOYLHT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-21(26-20-9-5-4-8-19(20)25-16)15-27-12-6-7-18(14-27)24(28)17-10-11-22(29-2)23(13-17)30-3/h4-5,8-11,13,18H,6-7,12,14-15H2,1-3H3/t18-/m1/s1.
What are the key properties of (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 25373372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).