(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one

C24H28FN3O3 — CID 95740284

IUPAC(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CCC(=O)N2C)cc1
InChIInChI=1S/C24H28FN3O3/c1-26-22(29)12-11-19(23(26)17-7-9-18(31-2)10-8-17)24(30)28-15-13-27(14-16-28)21-6-4-3-5-20(21)25/h3-10,19,23H,11-16H2,1-2H3/t19-,23-/m1/s1
InChIKeyPRPMKAGHXICDJN-AUSIDOKSSA-N
MW425.50 g/mol
LogP3.09
Rot. Bonds4

About (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one

(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one (PubChem CID 95740284) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
PubChem CID95740284
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CCC(=O)N2C)cc1
InChIInChI=1S/C24H28FN3O3/c1-26-22(29)12-11-19(23(26)17-7-9-18(31-2)10-8-17)24(30)28-15-13-27(14-16-28)21-6-4-3-5-20(21)25/h3-10,19,23H,11-16H2,1-2H3/t19-,23-/m1/s1
InChIKeyPRPMKAGHXICDJN-AUSIDOKSSA-N
XLogP3.09
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one with MolForge

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Related Compounds

(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 95740299
(5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 95740230
(5R,6R)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 95740229
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110687296
6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
CID 22422028
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203
(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one
CID 95740261
6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 56730472
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 15997008
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one?
The IUPAC name of (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one (CID 95740284) is (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one?
The canonical SMILES for (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one is COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CCC(=O)N2C)cc1.
What is the InChIKey of (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one?
The InChIKey is PRPMKAGHXICDJN-AUSIDOKSSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-26-22(29)12-11-19(23(26)17-7-9-18(31-2)10-8-17)24(30)28-15-13-27(14-16-28)21-6-4-3-5-20(21)25/h3-10,19,23H,11-16H2,1-2H3/t19-,23-/m1/s1.
What are the key properties of (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one?
(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one has a molecular weight of 425.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 95740284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).