cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone

C23H31FN2O3 — CID 46067544

IUPACcyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCC(C(=O)N3CCOCC3)CN2C(=O)C2CCCC2)ccc1F
InChIInChI=1S/C23H31FN2O3/c1-16-14-18(6-8-20(16)24)21-9-7-19(22(27)25-10-12-29-13-11-25)15-26(21)23(28)17-4-2-3-5-17/h6,8,14,17,19,21H,2-5,7,9-13,15H2,1H3
InChIKeyCOQLMZHWVBRGHQ-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.46
Rot. Bonds3

About cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone

cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone (PubChem CID 46067544) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
PubChem CID46067544
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Namecyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCC(C(=O)N3CCOCC3)CN2C(=O)C2CCCC2)ccc1F
InChIInChI=1S/C23H31FN2O3/c1-16-14-18(6-8-20(16)24)21-9-7-19(22(27)25-10-12-29-13-11-25)15-26(21)23(28)17-4-2-3-5-17/h6,8,14,17,19,21H,2-5,7,9-13,15H2,1H3
InChIKeyCOQLMZHWVBRGHQ-UHFFFAOYSA-N
XLogP3.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
1'-[(3-Methylphenyl)acetyl]-4-(4-morpholinylcarbonyl)-1,4'-bipiperidine
CID 16190968
(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl)-morpholin-4-yl-methanone
CID 22896805
5-{[4-(Methoxymethyl)-1-piperidinyl]carbonyl}-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24794332
US11077113, Example 12
CID 162533422
N-(3-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24791214
N-(2,6-difluoro-3-methylbenzyl)-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817107
1-[2-(3-Fluorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24790838
1-Cyclopentyl-5-{[4-(3-fluorobenzyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24817422
1-(3-Fluorobenzyl)-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24817462
1-(9-Benzyl-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)-2-(3-fluorophenyl)ethanone
CID 134805520
US11077113, Example 7
CID 162533417

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone (CID 46067544) is cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone is Cc1cc(C2CCC(C(=O)N3CCOCC3)CN2C(=O)C2CCCC2)ccc1F.
What is the InChIKey of cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone?
The InChIKey is COQLMZHWVBRGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O3/c1-16-14-18(6-8-20(16)24)21-9-7-19(22(27)25-10-12-29-13-11-25)15-26(21)23(28)17-4-2-3-5-17/h6,8,14,17,19,21H,2-5,7,9-13,15H2,1H3.
What are the key properties of cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone?
cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone has a molecular weight of 402.51 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46067544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).