3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one

C23H27FN2O4 — CID 172673693

IUPAC3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O4/c1-16-8-11-26(15-18-5-4-14-29-18)23(28)21(16)22(27)25-12-9-17(10-13-25)30-20-7-3-2-6-19(20)24/h2-3,6-8,11,17-18H,4-5,9-10,12-15H2,1H3
InChIKeyPPOTTWWDDWFHMX-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.16
Rot. Bonds5

About 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one

3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 172673693) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID172673693
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O4/c1-16-8-11-26(15-18-5-4-14-29-18)23(28)21(16)22(27)25-12-9-17(10-13-25)30-20-7-3-2-6-19(20)24/h2-3,6-8,11,17-18H,4-5,9-10,12-15H2,1H3
InChIKeyPPOTTWWDDWFHMX-UHFFFAOYSA-N
XLogP3.16
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(oxolan-2-ylmethyl)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyridin-2-one
CID 172666689
methyl 3-fluoro-5-[[4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonyl]amino]benzoate
CID 172656404
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616875
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
CID 172660780
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyridine-3-carboxamide
CID 172670300
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 172657074
4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine
CID 42512908
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 136532454
1-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170513126
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
CID 172672246
N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide
CID 172662468

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 172673693) is 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one is Cc1ccn(CC2CCCO2)c(=O)c1C(=O)N1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is PPOTTWWDDWFHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-16-8-11-26(15-18-5-4-14-29-18)23(28)21(16)22(27)25-12-9-17(10-13-25)30-20-7-3-2-6-19(20)24/h2-3,6-8,11,17-18H,4-5,9-10,12-15H2,1H3.
What are the key properties of 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 414.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 172673693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).