N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C14H19ClN2O3S — CID 24603278

IUPACN-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17-7-5-12(6-8-17)14(18)16-10-11-3-2-4-13(15)9-11/h2-4,9,12H,5-8,10H2,1H3,(H,16,18)
InChIKeyGFEBMLBJFZREHU-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.63
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 24603278) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID24603278
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17-7-5-12(6-8-17)14(18)16-10-11-3-2-4-13(15)9-11/h2-4,9,12H,5-8,10H2,1H3,(H,16,18)
InChIKeyGFEBMLBJFZREHU-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19411665
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
1-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1477781
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
1-[(3-chlorophenyl)methylsulfonyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 53283856

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 24603278) is N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is GFEBMLBJFZREHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-21(19,20)17-7-5-12(6-8-17)14(18)16-10-11-3-2-4-13(15)9-11/h2-4,9,12H,5-8,10H2,1H3,(H,16,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24603278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).