(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one

C19H26N2O2 — CID 95738418

IUPAC(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
SMILESCc1ccc([C@H]2[C@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1
InChIInChI=1S/C19H26N2O2/c1-14-6-8-15(9-7-14)18-16(10-11-17(22)20(18)2)19(23)21-12-4-3-5-13-21/h6-9,16,18H,3-5,10-13H2,1-2H3/t16-,18+/m1/s1
InChIKeyJJKDTBRDBVKKJQ-AEFFLSMTSA-N
MW314.43 g/mol
LogP2.92
Rot. Bonds2

About (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one

(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one (PubChem CID 95738418) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
PubChem CID95738418
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
SMILESCc1ccc([C@H]2[C@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1
InChIInChI=1S/C19H26N2O2/c1-14-6-8-15(9-7-14)18-16(10-11-17(22)20(18)2)19(23)21-12-4-3-5-13-21/h6-9,16,18H,3-5,10-13H2,1-2H3/t16-,18+/m1/s1
InChIKeyJJKDTBRDBVKKJQ-AEFFLSMTSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(4S,5R)-4-(azepane-1-carbonyl)-1-methyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 97457246
(5R,6S)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-(4-methylphenyl)piperidin-2-one
CID 98768946
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187
(5R,6R)-1-ethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)-6-(4-methylphenyl)piperidin-2-one
CID 110087385
(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one
CID 97457457
(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
N-cyclohexyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 56730975
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 98881750
(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 95740299

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one (CID 95738418) is (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one is Cc1ccc([C@H]2[C@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1.
What is the InChIKey of (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
The InChIKey is JJKDTBRDBVKKJQ-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-6-8-15(9-7-14)18-16(10-11-17(22)20(18)2)19(23)21-12-4-3-5-13-21/h6-9,16,18H,3-5,10-13H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one?
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 95738418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).