2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone

C20H29FN2O2 — CID 97145614

IUPAC2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
SMILESCc1cc(CC(=O)N2CCCC[C@@H]2CCN2CCOCC2)ccc1F
InChIInChI=1S/C20H29FN2O2/c1-16-14-17(5-6-19(16)21)15-20(24)23-8-3-2-4-18(23)7-9-22-10-12-25-13-11-22/h5-6,14,18H,2-4,7-13,15H2,1H3/t18-/m1/s1
InChIKeyYNTRPQLBUGNJCR-GOSISDBHSA-N
MW348.46 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone

2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone (PubChem CID 97145614) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
PubChem CID97145614
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
SMILESCc1cc(CC(=O)N2CCCC[C@@H]2CCN2CCOCC2)ccc1F
InChIInChI=1S/C20H29FN2O2/c1-16-14-17(5-6-19(16)21)15-20(24)23-8-3-2-4-18(23)7-9-22-10-12-25-13-11-22/h5-6,14,18H,2-4,7-13,15H2,1H3/t18-/m1/s1
InChIKeyYNTRPQLBUGNJCR-GOSISDBHSA-N
XLogP2.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
CID 70776154
N-(5-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 56894380
1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 56713732
(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95707481
2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985380
2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 26819196
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072
(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 53193426
(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70752772
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone (CID 97145614) is 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone is Cc1cc(CC(=O)N2CCCC[C@@H]2CCN2CCOCC2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is YNTRPQLBUGNJCR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-16-14-17(5-6-19(16)21)15-20(24)23-8-3-2-4-18(23)7-9-22-10-12-25-13-11-22/h5-6,14,18H,2-4,7-13,15H2,1H3/t18-/m1/s1.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone?
2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 348.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97145614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).