(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone

C23H24N2O2 — CID 45183381

IUPAC(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1C(=O)C1CCCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C23H24N2O2/c1-27-22-9-3-2-8-20(22)23(26)19-7-5-13-25(16-19)15-17-10-11-21-18(14-17)6-4-12-24-21/h2-4,6,8-12,14,19H,5,7,13,15-16H2,1H3
InChIKeyQJCNSYFDCCUUGH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.34
Rot. Bonds5

About (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone

(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone (PubChem CID 45183381) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
PubChem CID45183381
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1C(=O)C1CCCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C23H24N2O2/c1-27-22-9-3-2-8-20(22)23(26)19-7-5-13-25(16-19)15-17-10-11-21-18(14-17)6-4-12-24-21/h2-4,6,8-12,14,19H,5,7,13,15-16H2,1H3
InChIKeyQJCNSYFDCCUUGH-UHFFFAOYSA-N
XLogP4.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 42198031
[1-(isoquinolin-5-ylmethyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 45170841
(2,4-dimethoxyphenyl)-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460173
(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164
1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 25453186
[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 25380855
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45245905
1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 42565190
6-[[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 119075050
6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 126454219
[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 26400044

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone (CID 45183381) is (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone is COc1ccccc1C(=O)C1CCCN(Cc2ccc3ncccc3c2)C1.
What is the InChIKey of (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is QJCNSYFDCCUUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-22-9-3-2-8-20(22)23(26)19-7-5-13-25(16-19)15-17-10-11-21-18(14-17)6-4-12-24-21/h2-4,6,8-12,14,19H,5,7,13,15-16H2,1H3.
What are the key properties of (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone?
(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45183381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).