(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one

C17H21FN2O3 — CID 97457697

IUPAC(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
SMILESCN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c1-19-15(21)7-6-14(17(22)20-8-10-23-11-9-20)16(19)12-2-4-13(18)5-3-12/h2-5,14,16H,6-11H2,1H3/t14-,16-/m0/s1
InChIKeyXPNBXIXGKOPZHN-HOCLYGCPSA-N
MW320.36 g/mol
LogP1.59
Rot. Bonds2

About (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one

(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one (PubChem CID 97457697) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
PubChem CID97457697
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
SMILESCN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c1-19-15(21)7-6-14(17(22)20-8-10-23-11-9-20)16(19)12-2-4-13(18)5-3-12/h2-5,14,16H,6-11H2,1H3/t14-,16-/m0/s1
InChIKeyXPNBXIXGKOPZHN-HOCLYGCPSA-N
XLogP1.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740393
(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-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
CID 18715100
5-(4-fluorophenyl)-1-methyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 71689611
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 124684488
(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one (CID 97457697) is (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one is CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one?
The InChIKey is XPNBXIXGKOPZHN-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-19-15(21)7-6-14(17(22)20-8-10-23-11-9-20)16(19)12-2-4-13(18)5-3-12/h2-5,14,16H,6-11H2,1H3/t14-,16-/m0/s1.
What are the key properties of (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one?
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one has a molecular weight of 320.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 97457697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).