1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide

C23H26ClFN2O3 — CID 55623180

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(C)C(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26ClFN2O3/c1-15(16-4-7-19(25)8-5-16)26(2)22(28)17-10-12-27(13-11-17)23(29)20-14-18(24)6-9-21(20)30-3/h4-9,14-15,17H,10-13H2,1-3H3
InChIKeySKQCKALIQGJDBK-UHFFFAOYSA-N
MW432.92 g/mol
LogP4.56
Rot. Bonds5

About 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55623180) has the molecular formula C23H26ClFN2O3 and a molecular weight of 432.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID55623180
Molecular FormulaC23H26ClFN2O3
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(C)C(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26ClFN2O3/c1-15(16-4-7-19(25)8-5-16)26(2)22(28)17-10-12-27(13-11-17)23(29)20-14-18(24)6-9-21(20)30-3/h4-9,14-15,17H,10-13H2,1-3H3
InChIKeySKQCKALIQGJDBK-UHFFFAOYSA-N
XLogP4.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
N-(4-carbamoylphenyl)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 55903833
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 34152158
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43059958
1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78864334
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 91783571
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide (CID 55623180) is 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(C)C(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is SKQCKALIQGJDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O3/c1-15(16-4-7-19(25)8-5-16)26(2)22(28)17-10-12-27(13-11-17)23(29)20-14-18(24)6-9-21(20)30-3/h4-9,14-15,17H,10-13H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 432.92 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55623180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).