(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone

C18H28N2O3S — CID 131960945

IUPAC(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone
SMILESCC1CC(C)CN(C(=O)c2ccccc2NCCCS(C)(=O)=O)C1
InChIInChI=1S/C18H28N2O3S/c1-14-11-15(2)13-20(12-14)18(21)16-7-4-5-8-17(16)19-9-6-10-24(3,22)23/h4-5,7-8,14-15,19H,6,9-13H2,1-3H3
InChIKeyDFDAITOPBDQZRZ-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.65
Rot. Bonds6

About (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone

(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone (PubChem CID 131960945) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone
PubChem CID131960945
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone
SMILESCC1CC(C)CN(C(=O)c2ccccc2NCCCS(C)(=O)=O)C1
InChIInChI=1S/C18H28N2O3S/c1-14-11-15(2)13-20(12-14)18(21)16-7-4-5-8-17(16)19-9-6-10-24(3,22)23/h4-5,7-8,14-15,19H,6,9-13H2,1-3H3
InChIKeyDFDAITOPBDQZRZ-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone
CID 132970238
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide
CID 36864784
N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide
CID 112822832
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
2-(2-methylsulfonylethylamino)benzoic acid
CID 62230522
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-nitroanilino)propanamide
CID 46442916
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003
2-(3-methylsulfonylpropylamino)-N-prop-2-ynylbenzamide
CID 75427525
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone (CID 131960945) is (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone is CC1CC(C)CN(C(=O)c2ccccc2NCCCS(C)(=O)=O)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone?
The InChIKey is DFDAITOPBDQZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-11-15(2)13-20(12-14)18(21)16-7-4-5-8-17(16)19-9-6-10-24(3,22)23/h4-5,7-8,14-15,19H,6,9-13H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone has a molecular weight of 352.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone is sourced from PubChem (CID 131960945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).