N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

C16H23N3O4S — CID 55556995

IUPACN-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C16H23N3O4S/c1-18(2)16(21)12-6-4-8-14(10-12)17-15(20)13-7-5-9-19(11-13)24(3,22)23/h4,6,8,10,13H,5,7,9,11H2,1-3H3,(H,17,20)
InChIKeyXWTCPPAKSHIGPY-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.00
Rot. Bonds4

About N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 55556995) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID55556995
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C16H23N3O4S/c1-18(2)16(21)12-6-4-8-14(10-12)17-15(20)13-7-5-9-19(11-13)24(3,22)23/h4,6,8,10,13H,5,7,9,11H2,1-3H3,(H,17,20)
InChIKeyXWTCPPAKSHIGPY-UHFFFAOYSA-N
XLogP1.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258371
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 33173212
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
N-[3-(dimethylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597194
1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43916583
(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447080
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 55556995) is N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is CN(C)C(=O)c1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is XWTCPPAKSHIGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-18(2)16(21)12-6-4-8-14(10-12)17-15(20)13-7-5-9-19(11-13)24(3,22)23/h4,6,8,10,13H,5,7,9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55556995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).