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

C18H24N2O4 — CID 95740230

IUPAC(5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O4/c1-19-16(21)8-7-15(18(22)20-9-11-24-12-10-20)17(19)13-3-5-14(23-2)6-4-13/h3-6,15,17H,7-12H2,1-2H3/t15-,17+/m0/s1
InChIKeyRTWPZZLECKPBPW-DOTOQJQBSA-N
MW332.40 g/mol
LogP1.46
Rot. Bonds3

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

(5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one (PubChem CID 95740230) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
PubChem CID95740230
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O4/c1-19-16(21)8-7-15(18(22)20-9-11-24-12-10-20)17(19)13-3-5-14(23-2)6-4-13/h3-6,15,17H,7-12H2,1-2H3/t15-,17+/m0/s1
InChIKeyRTWPZZLECKPBPW-DOTOQJQBSA-N
XLogP1.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6R)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 95740229
(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 95740299
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95740284
(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one
CID 95740261
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
(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
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740393
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
CID 22422028
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91957469

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one (CID 95740230) is (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one is COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1.
What is the InChIKey of (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one?
The InChIKey is RTWPZZLECKPBPW-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19-16(21)8-7-15(18(22)20-9-11-24-12-10-20)17(19)13-3-5-14(23-2)6-4-13/h3-6,15,17H,7-12H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one?
(5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 95740230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).