4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one

C33H37FN2O3 — CID 144836963

IUPAC4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one
SMILESCC(C)Oc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CN1CCC(n2ccc(C(=O)C3CC3)cc2=O)CC1
InChIInChI=1S/C33H37FN2O3/c1-21(2)39-31-19-30(23-7-9-27(34)10-8-23)29(22-3-4-22)17-26(31)20-35-14-12-28(13-15-35)36-16-11-25(18-32(36)37)33(38)24-5-6-24/h7-11,16-19,21-22,24,28H,3-6,12-15,20H2,1-2H3
InChIKeyCDHFVNQCFLAIFT-UHFFFAOYSA-N
MW528.67 g/mol
LogP6.75
Rot. Bonds9

About 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one

4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one (PubChem CID 144836963) has the molecular formula C33H37FN2O3 and a molecular weight of 528.67 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one
PubChem CID144836963
Molecular FormulaC33H37FN2O3
Molecular Weight528.67 g/mol
Exact Mass528.28
IUPAC Name4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one
SMILESCC(C)Oc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CN1CCC(n2ccc(C(=O)C3CC3)cc2=O)CC1
InChIInChI=1S/C33H37FN2O3/c1-21(2)39-31-19-30(23-7-9-27(34)10-8-23)29(22-3-4-22)17-26(31)20-35-14-12-28(13-15-35)36-16-11-25(18-32(36)37)33(38)24-5-6-24/h7-11,16-19,21-22,24,28H,3-6,12-15,20H2,1-2H3
InChIKeyCDHFVNQCFLAIFT-UHFFFAOYSA-N
XLogP6.75
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.67
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-methoxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
CID 118037510
1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-3-ethyl-2-oxopyridine-4-carboxylic acid
CID 118037888
3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
CID 118037584
1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one
CID 118038127
1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene
CID 129143320
ethyl 1-[2-[[5-cyclopropyl-2-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylate
CID 118897976
4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
CID 171115826
carbamoyl 2-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 90789103
methyl 4-[2-[[5-cyclopropyl-3-fluoro-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octan-6-yl]benzoate
CID 170049857
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 19811877

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one?
The IUPAC name of 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one (CID 144836963) is 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one is CC(C)Oc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CN1CCC(n2ccc(C(=O)C3CC3)cc2=O)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one?
The InChIKey is CDHFVNQCFLAIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN2O3/c1-21(2)39-31-19-30(23-7-9-27(34)10-8-23)29(22-3-4-22)17-26(31)20-35-14-12-28(13-15-35)36-16-11-25(18-32(36)37)33(38)24-5-6-24/h7-11,16-19,21-22,24,28H,3-6,12-15,20H2,1-2H3.
What are the key properties of 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one?
4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one has a molecular weight of 528.67 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 144836963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).