6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one

C29H29F2N3O3 — CID 22422028

IUPAC6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C29H29F2N3O3/c1-37-25-12-10-24(11-13-25)34-27(35)15-14-26(28(34)20-2-4-21(30)5-3-20)29(36)33-18-16-32(17-19-33)23-8-6-22(31)7-9-23/h2-13,26,28H,14-19H2,1H3
InChIKeyDGZDTJMZRVOTDB-UHFFFAOYSA-N
MW505.57 g/mol
LogP4.81
Rot. Bonds5

About 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one

6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one (PubChem CID 22422028) has the molecular formula C29H29F2N3O3 and a molecular weight of 505.57 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
PubChem CID22422028
Molecular FormulaC29H29F2N3O3
Molecular Weight505.57 g/mol
Exact Mass505.22
IUPAC Name6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C29H29F2N3O3/c1-37-25-12-10-24(11-13-25)34-27(35)15-14-26(28(34)20-2-4-21(30)5-3-20)29(36)33-18-16-32(17-19-33)23-8-6-22(31)7-9-23/h2-13,26,28H,14-19H2,1H3
InChIKeyDGZDTJMZRVOTDB-UHFFFAOYSA-N
XLogP4.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
1,5-bis(4-methoxyphenyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 22422436
1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 15997008
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
(5R,6S)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-2-one
CID 94850263
(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
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
5-[4-(4-bromophenyl)sulfonylpiperidine-1-carbonyl]-6-(4-methoxyphenyl)-1-(4-methylphenyl)piperidin-2-one
CID 166348507
(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95740284
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one (CID 22422028) is 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one is COc1ccc(N2C(=O)CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one?
The InChIKey is DGZDTJMZRVOTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N3O3/c1-37-25-12-10-24(11-13-25)34-27(35)15-14-26(28(34)20-2-4-21(30)5-3-20)29(36)33-18-16-32(17-19-33)23-8-6-22(31)7-9-23/h2-13,26,28H,14-19H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one?
6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one has a molecular weight of 505.57 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 22422028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).