(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone

C24H26N2O3 — CID 45245905

IUPAC(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(Cc3ccc4ccccc4n3)C2)c(OC)c1
InChIInChI=1S/C24H26N2O3/c1-28-20-11-12-21(23(14-20)29-2)24(27)18-7-5-13-26(15-18)16-19-10-9-17-6-3-4-8-22(17)25-19/h3-4,6,8-12,14,18H,5,7,13,15-16H2,1-2H3
InChIKeyMJIGMXBWLMCSQL-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.35
Rot. Bonds6

About (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone

(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 45245905) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
PubChem CID45245905
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(Cc3ccc4ccccc4n3)C2)c(OC)c1
InChIInChI=1S/C24H26N2O3/c1-28-20-11-12-21(23(14-20)29-2)24(27)18-7-5-13-26(15-18)16-19-10-9-17-6-3-4-8-22(17)25-19/h3-4,6,8-12,14,18H,5,7,13,15-16H2,1-2H3
InChIKeyMJIGMXBWLMCSQL-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)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45203336
(2,4-dimethoxyphenyl)-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460173
[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 26400044
(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
CID 25492240
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455
(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
CID 45191829
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 45183381
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 45170651

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone (CID 45245905) is (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone is COc1ccc(C(=O)C2CCCN(Cc3ccc4ccccc4n3)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is MJIGMXBWLMCSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-20-11-12-21(23(14-20)29-2)24(27)18-7-5-13-26(15-18)16-19-10-9-17-6-3-4-8-22(17)25-19/h3-4,6,8-12,14,18H,5,7,13,15-16H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone?
(2,4-dimethoxyphenyl)-[1-(quinolin-2-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 (2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45245905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).