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

C23H26ClFN2O3S — CID 55622930

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCCSCc2ccccc2F)CC1
InChIInChI=1S/C23H26ClFN2O3S/c1-30-21-7-6-18(24)14-19(21)23(29)27-11-8-16(9-12-27)22(28)26-10-13-31-15-17-4-2-3-5-20(17)25/h2-7,14,16H,8-13,15H2,1H3,(H,26,28)
InChIKeyDALWYBHZHVCKMO-UHFFFAOYSA-N
MW464.99 g/mol
LogP4.39
Rot. Bonds8

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

1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide (PubChem CID 55622930) has the molecular formula C23H26ClFN2O3S and a molecular weight of 464.99 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
PubChem CID55622930
Molecular FormulaC23H26ClFN2O3S
Molecular Weight464.99 g/mol
Exact Mass464.13
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCCSCc2ccccc2F)CC1
InChIInChI=1S/C23H26ClFN2O3S/c1-30-21-7-6-18(24)14-19(21)23(29)27-11-8-16(9-12-27)22(28)26-10-13-31-15-17-4-2-3-5-20(17)25/h2-7,14,16H,8-13,15H2,1H3,(H,26,28)
InChIKeyDALWYBHZHVCKMO-UHFFFAOYSA-N
XLogP4.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.99
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56586390
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779052
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 8744694
1-(5-chloro-2-methoxybenzoyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55624520
1-(5-chloro-2-methoxybenzoyl)-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 55899749
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 51196870
1-(benzenesulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 92535844
1-(5-chloro-2-methoxybenzoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 55674310
1-(5-chloro-2-methoxybenzoyl)-N-[(1R,3S,4R)-3-methoxy-2,2,4-trimethylcyclobutyl]piperidine-4-carboxamide
CID 100907665
N-(1-benzylpiperidin-3-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 55653629
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide (CID 55622930) is 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCCSCc2ccccc2F)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide?
The InChIKey is DALWYBHZHVCKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O3S/c1-30-21-7-6-18(24)14-19(21)23(29)27-11-8-16(9-12-27)22(28)26-10-13-31-15-17-4-2-3-5-20(17)25/h2-7,14,16H,8-13,15H2,1H3,(H,26,28).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide has a molecular weight of 464.99 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55622930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).