N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide

C16H20Cl2N2O2S — CID 55690843

IUPACN-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide
SMILESCSC(C)C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2S/c1-10(23-2)16(22)20-8-4-3-5-14(20)15(21)19-11-6-7-12(17)13(18)9-11/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyOBQQVIFPVWWUCJ-UHFFFAOYSA-N
MW375.32 g/mol
LogP4.06
Rot. Bonds4

About N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide (PubChem CID 55690843) has the molecular formula C16H20Cl2N2O2S and a molecular weight of 375.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide
PubChem CID55690843
Molecular FormulaC16H20Cl2N2O2S
Molecular Weight375.32 g/mol
Exact Mass374.06
IUPAC NameN-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide
SMILESCSC(C)C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2S/c1-10(23-2)16(22)20-8-4-3-5-14(20)15(21)19-11-6-7-12(17)13(18)9-11/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyOBQQVIFPVWWUCJ-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-1-[(2R)-2-methylsulfonylpropanoyl]piperidine-2-carboxamide
CID 95649557
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
N-(3,4-dichlorophenyl)-1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55760332
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55874024
(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 110354039
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
N-(3,4-dichlorophenyl)-1-[2-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]propanoyl]piperidine-2-carboxamide
CID 166348289
(2R)-N-[4-(azepan-1-yl)phenyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 94621419
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide (CID 55690843) is N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide is CSC(C)C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide?
The InChIKey is OBQQVIFPVWWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2S/c1-10(23-2)16(22)20-8-4-3-5-14(20)15(21)19-11-6-7-12(17)13(18)9-11/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide has a molecular weight of 375.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 55690843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).