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

C20H28N2O3 — CID 95740299

IUPAC(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc([C@H]2[C@@H](C(=O)N3CCC(C)CC3)CCC(=O)N2C)cc1
InChIInChI=1S/C20H28N2O3/c1-14-10-12-22(13-11-14)20(24)17-8-9-18(23)21(2)19(17)15-4-6-16(25-3)7-5-15/h4-7,14,17,19H,8-13H2,1-3H3/t17-,19-/m0/s1
InChIKeyOVYDQEZXZONNFB-HKUYNNGSSA-N
MW344.45 g/mol
LogP2.86
Rot. Bonds3

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

(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one (PubChem CID 95740299) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
PubChem CID95740299
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc([C@H]2[C@@H](C(=O)N3CCC(C)CC3)CCC(=O)N2C)cc1
InChIInChI=1S/C20H28N2O3/c1-14-10-12-22(13-11-14)20(24)17-8-9-18(23)21(2)19(17)15-4-6-16(25-3)7-5-15/h4-7,14,17,19H,8-13H2,1-3H3/t17-,19-/m0/s1
InChIKeyOVYDQEZXZONNFB-HKUYNNGSSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
(5R,6S)-6-(4-methoxyphenyl)-1-methyl-5-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-2-one
CID 95740261
(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95740284
(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 25476275
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
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
(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 (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one (CID 95740299) is (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one is COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C)CC3)CCC(=O)N2C)cc1.
What is the InChIKey of (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is OVYDQEZXZONNFB-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-10-12-22(13-11-14)20(24)17-8-9-18(23)21(2)19(17)15-4-6-16(25-3)7-5-15/h4-7,14,17,19H,8-13H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 95740299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).