(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one

C20H28N2O3 — CID 95740261

IUPAC(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](C(=O)N3CCCC[C@@H]3C)CCC(=O)N2C)cc1
InChIInChI=1S/C20H28N2O3/c1-14-6-4-5-13-22(14)20(24)17-11-12-18(23)21(2)19(17)15-7-9-16(25-3)10-8-15/h7-10,14,17,19H,4-6,11-13H2,1-3H3/t14-,17+,19+/m0/s1
InChIKeySUOYTNVMXDNDFK-POZUXBRTSA-N
MW344.45 g/mol
LogP3.01
Rot. Bonds3

About (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one

(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one (PubChem CID 95740261) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one
PubChem CID95740261
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](C(=O)N3CCCC[C@@H]3C)CCC(=O)N2C)cc1
InChIInChI=1S/C20H28N2O3/c1-14-6-4-5-13-22(14)20(24)17-11-12-18(23)21(2)19(17)15-7-9-16(25-3)10-8-15/h7-10,14,17,19H,4-6,11-13H2,1-3H3/t14-,17+,19+/m0/s1
InChIKeySUOYTNVMXDNDFK-POZUXBRTSA-N
XLogP3.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-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
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 171143894
(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95740284
(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
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
(5S,6S)-5-(hydroxymethyl)-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95240640
3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362478

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one (CID 95740261) is (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one is COc1ccc([C@@H]2[C@H](C(=O)N3CCCC[C@@H]3C)CCC(=O)N2C)cc1.
What is the InChIKey of (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one?
The InChIKey is SUOYTNVMXDNDFK-POZUXBRTSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-6-4-5-13-22(14)20(24)17-11-12-18(23)21(2)19(17)15-7-9-16(25-3)10-8-15/h7-10,14,17,19H,4-6,11-13H2,1-3H3/t14-,17+,19+/m0/s1.
What are the key properties of (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one?
(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 95740261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).