N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H23N3O3S — CID 30875404

IUPACN-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S/c1-17(2)14-7-5-4-6-13(14)16-15(19)12-8-10-18(11-9-12)22(3,20)21/h4-7,12H,8-11H2,1-3H3,(H,16,19)
InChIKeyLOBKBTCQZFLPBH-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.36
Rot. Bonds4

About N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 30875404) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID30875404
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S/c1-17(2)14-7-5-4-6-13(14)16-15(19)12-8-10-18(11-9-12)22(3,20)21/h4-7,12H,8-11H2,1-3H3,(H,16,19)
InChIKeyLOBKBTCQZFLPBH-UHFFFAOYSA-N
XLogP1.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51320655
1-methylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide
CID 24603608
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
1-(dimethylsulfamoyl)-N-(2-phenylphenyl)piperidine-4-carboxamide
CID 41455218
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122319866
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122297890
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 30875404) is N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is CN(C)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is LOBKBTCQZFLPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17(2)14-7-5-4-6-13(14)16-15(19)12-8-10-18(11-9-12)22(3,20)21/h4-7,12H,8-11H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30875404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).