3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide

C21H24N2O3S — CID 45228536

IUPAC3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)Nc2cccc(SC)c2)C1
InChIInChI=1S/C21H24N2O3S/c1-26-19-11-4-3-10-18(19)20(24)15-7-6-12-23(14-15)21(25)22-16-8-5-9-17(13-16)27-2/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,22,25)
InChIKeyZDNIQJPONOTVLR-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.54
Rot. Bonds5

About 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide

3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide (PubChem CID 45228536) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
PubChem CID45228536
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)Nc2cccc(SC)c2)C1
InChIInChI=1S/C21H24N2O3S/c1-26-19-11-4-3-10-18(19)20(24)15-7-6-12-23(14-15)21(25)22-16-8-5-9-17(13-16)27-2/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,22,25)
InChIKeyZDNIQJPONOTVLR-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 42394704
(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
CID 42567311
N-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45190370
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
N-(3-methylsulfanylphenyl)-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139938
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide (CID 45228536) is 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide is COc1ccccc1C(=O)C1CCCN(C(=O)Nc2cccc(SC)c2)C1.
What is the InChIKey of 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide?
The InChIKey is ZDNIQJPONOTVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-26-19-11-4-3-10-18(19)20(24)15-7-6-12-23(14-15)21(25)22-16-8-5-9-17(13-16)27-2/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide?
3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 45228536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).