1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one

C29H32N4O4 — CID 15997008

IUPAC1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCN(c4ccccn4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H32N4O4/c1-36-23-10-6-21(7-11-23)28-25(14-15-27(34)33(28)22-8-12-24(37-2)13-9-22)29(35)32-19-17-31(18-20-32)26-5-3-4-16-30-26/h3-13,16,25,28H,14-15,17-20H2,1-2H3
InChIKeyDGQRKMVGIYUMKF-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.93
Rot. Bonds6

About 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one

1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 15997008) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID15997008
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCN(c4ccccn4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H32N4O4/c1-36-23-10-6-21(7-11-23)28-25(14-15-27(34)33(28)22-8-12-24(37-2)13-9-22)29(35)32-19-17-31(18-20-32)26-5-3-4-16-30-26/h3-13,16,25,28H,14-15,17-20H2,1-2H3
InChIKeyDGQRKMVGIYUMKF-UHFFFAOYSA-N
XLogP3.93
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
CID 22422028
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
1,5-bis(4-methoxyphenyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 22422436
1-(4-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110374158
1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373788
(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 25476275
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
(5S,6S)-5-(4-benzylpiperazine-1-carbonyl)-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one
CID 98186477
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 43020518
5-[4-(4-bromophenyl)sulfonylpiperidine-1-carbonyl]-6-(4-methoxyphenyl)-1-(4-methylphenyl)piperidin-2-one
CID 166348507

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one (CID 15997008) is 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one is COc1ccc(C2C(C(=O)N3CCN(c4ccccn4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is DGQRKMVGIYUMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-36-23-10-6-21(7-11-23)28-25(14-15-27(34)33(28)22-8-12-24(37-2)13-9-22)29(35)32-19-17-31(18-20-32)26-5-3-4-16-30-26/h3-13,16,25,28H,14-15,17-20H2,1-2H3.
What are the key properties of 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 500.60 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 15997008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).