(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone

C24H26N2O3 — CID 45238376

IUPAC(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(Cc3cccc4cccnc34)C2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-28-21-11-10-18(14-22(21)29-2)24(27)20-9-5-13-26(16-20)15-19-7-3-6-17-8-4-12-25-23(17)19/h3-4,6-8,10-12,14,20H,5,9,13,15-16H2,1-2H3
InChIKeyKTVBVZBHMAXCQW-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.35
Rot. Bonds6

About (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone (PubChem CID 45238376) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
PubChem CID45238376
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(Cc3cccc4cccnc34)C2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-28-21-11-10-18(14-22(21)29-2)24(27)20-9-5-13-26(16-20)15-19-7-3-6-17-8-4-12-25-23(17)19/h3-4,6-8,10-12,14,20H,5,9,13,15-16H2,1-2H3
InChIKeyKTVBVZBHMAXCQW-UHFFFAOYSA-N
XLogP4.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
(3,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45203336
(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
CID 25373372
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26393620
(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
(3,4-dimethoxyphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25478429

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone (CID 45238376) is (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone is COc1ccc(C(=O)C2CCCN(Cc3cccc4cccnc34)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is KTVBVZBHMAXCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-21-11-10-18(14-22(21)29-2)24(27)20-9-5-13-26(16-20)15-19-7-3-6-17-8-4-12-25-23(17)19/h3-4,6-8,10-12,14,20H,5,9,13,15-16H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45238376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).