(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone

C19H30N2O3S — CID 132970238

IUPAC(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCCCS(C)(=O)=O
InChIInChI=1S/C19H30N2O3S/c1-14-10-15(2)13-21(12-14)19(22)17-7-6-16(3)18(11-17)20-8-5-9-25(4,23)24/h6-7,11,14-15,20H,5,8-10,12-13H2,1-4H3
InChIKeyUMIDCOIRVRYOLQ-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.96
Rot. Bonds6

About (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone

(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone (PubChem CID 132970238) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone
PubChem CID132970238
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCCCS(C)(=O)=O
InChIInChI=1S/C19H30N2O3S/c1-14-10-15(2)13-21(12-14)19(22)17-7-6-16(3)18(11-17)20-8-5-9-25(4,23)24/h6-7,11,14-15,20H,5,8-10,12-13H2,1-4H3
InChIKeyUMIDCOIRVRYOLQ-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone
CID 131960945
(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone
CID 102553763
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(1H-imidazol-2-ylmethylamino)-4-methylphenyl]methanone
CID 97236628
N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide
CID 132970155
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55895249
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55895387

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone (CID 132970238) is (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCCCS(C)(=O)=O.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone?
The InChIKey is UMIDCOIRVRYOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14-10-15(2)13-21(12-14)19(22)17-7-6-16(3)18(11-17)20-8-5-9-25(4,23)24/h6-7,11,14-15,20H,5,8-10,12-13H2,1-4H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone has a molecular weight of 366.53 g/mol, XLogP of 2.96, 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)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone is sourced from PubChem (CID 132970238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).