(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one

C27H34N2O4 — CID 41207711

IUPAC(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(C2[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H34N2O4/c1-18-15-19(2)17-28(16-18)27(31)24-13-14-25(30)29(21-7-11-23(33-4)12-8-21)26(24)20-5-9-22(32-3)10-6-20/h5-12,18-19,24,26H,13-17H2,1-4H3/t18-,19+,24-,26?/m1/s1
InChIKeyVHYSEPLPCXGXBR-WZKBUXEGSA-N
MW450.58 g/mol
LogP4.69
Rot. Bonds5

About (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one

(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one (PubChem CID 41207711) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
PubChem CID41207711
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(C2[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H34N2O4/c1-18-15-19(2)17-28(16-18)27(31)24-13-14-25(30)29(21-7-11-23(33-4)12-8-21)26(24)20-5-9-22(32-3)10-6-20/h5-12,18-19,24,26H,13-17H2,1-4H3/t18-,19+,24-,26?/m1/s1
InChIKeyVHYSEPLPCXGXBR-WZKBUXEGSA-N
XLogP4.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one with MolForge

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Related Compounds

6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 25476275
6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
CID 22422028
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 15997008
(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 95740299
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
1,5-bis(4-methoxyphenyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 22422436
5-[4-(4-bromophenyl)sulfonylpiperidine-1-carbonyl]-6-(4-methoxyphenyl)-1-(4-methylphenyl)piperidin-2-one
CID 166348507
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one (CID 41207711) is (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one is COc1ccc(C2[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one?
The InChIKey is VHYSEPLPCXGXBR-WZKBUXEGSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-18-15-19(2)17-28(16-18)27(31)24-13-14-25(30)29(21-7-11-23(33-4)12-8-21)26(24)20-5-9-22(32-3)10-6-20/h5-12,18-19,24,26H,13-17H2,1-4H3/t18-,19+,24-,26?/m1/s1.
What are the key properties of (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one?
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one has a molecular weight of 450.58 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 41207711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).