(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

C21H27FN4O2 — CID 97110556

IUPAC(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCN1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)n2)CC1
InChIInChI=1S/C21H27FN4O2/c1-25-9-7-15(8-10-25)12-19-23-21(28-24-19)17-5-6-20(27)26(14-17)13-16-3-2-4-18(22)11-16/h2-4,11,15,17H,5-10,12-14H2,1H3/t17-/m0/s1
InChIKeyWCLSKDLJGWEALA-KRWDZBQOSA-N
MW386.47 g/mol
LogP3.00
Rot. Bonds5

About (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 97110556) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID97110556
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCN1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)n2)CC1
InChIInChI=1S/C21H27FN4O2/c1-25-9-7-15(8-10-25)12-19-23-21(28-24-19)17-5-6-20(27)26(14-17)13-16-3-2-4-18(22)11-16/h2-4,11,15,17H,5-10,12-14H2,1H3/t17-/m0/s1
InChIKeyWCLSKDLJGWEALA-KRWDZBQOSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-1-[(2-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97118378
(5R)-1-[(4-chlorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97133541
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72838295
1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72876939
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
(5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one
CID 97143504
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455017
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 154759332
(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 95186482
1-[(2-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72892271
1-[(3R)-3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 100688666
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 97110556) is (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is CN1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)n2)CC1.
What is the InChIKey of (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is WCLSKDLJGWEALA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-25-9-7-15(8-10-25)12-19-23-21(28-24-19)17-5-6-20(27)26(14-17)13-16-3-2-4-18(22)11-16/h2-4,11,15,17H,5-10,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 386.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 97110556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).