2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide

C24H27FN2O4 — CID 20626145

IUPAC2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1ccc(C(=O)C(=O)N(C)C)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN2O4/c1-26(2)24(30)22(28)18-6-9-21(31-3)20(15-18)23(29)27-12-10-17(11-13-27)14-16-4-7-19(25)8-5-16/h4-9,15,17H,10-14H2,1-3H3
InChIKeySHQCBIKUCPXMJJ-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.20
Rot. Bonds6

About 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide

2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 20626145) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide
PubChem CID20626145
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1ccc(C(=O)C(=O)N(C)C)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN2O4/c1-26(2)24(30)22(28)18-6-9-21(31-3)20(15-18)23(29)27-12-10-17(11-13-27)14-16-4-7-19(25)8-5-16/h4-9,15,17H,10-14H2,1-3H3
InChIKeySHQCBIKUCPXMJJ-UHFFFAOYSA-N
XLogP3.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methoxy)benzamide
CID 25218487
2-(2-{3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}ethoxy)benzamide
CID 25218492
2-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methoxy)-5-fluorobenzamide
CID 25218500
1-[4-(2-Methoxy-benzoyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 787279
1'-(3-Fluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260532
1-[4-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]ethanone
CID 8554793
(4-Fluoro-phenyl)-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 24746982
N,N'-Dibenzyl-4-methoxy-isophthalamide
CID 22248617
2-Methoxyphenyl 4-(2-phenylethyl)piperazinyl ketone
CID 1246224
[4-(4-Methoxy-benzoyl)-piperidin-1-yl]-p-tolyl-methanone
CID 1437821
1-(4-Methoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone
CID 2835938
1'-(2-Fluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260531

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide (CID 20626145) is 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide is COc1ccc(C(=O)C(=O)N(C)C)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is SHQCBIKUCPXMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-26(2)24(30)22(28)18-6-9-21(31-3)20(15-18)23(29)27-12-10-17(11-13-27)14-16-4-7-19(25)8-5-16/h4-9,15,17H,10-14H2,1-3H3.
What are the key properties of 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide?
2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 426.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 20626145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).