(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone

C17H25NO5S — CID 45219831

IUPAC(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(S(=O)(=O)C(C)C)C2)cc1OC
InChIInChI=1S/C17H25NO5S/c1-12(2)24(20,21)18-9-5-6-14(11-18)17(19)13-7-8-15(22-3)16(10-13)23-4/h7-8,10,12,14H,5-6,9,11H2,1-4H3
InChIKeyBAVGHXDTTSZKLV-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.34
Rot. Bonds6

About (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone

(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 45219831) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
PubChem CID45219831
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(S(=O)(=O)C(C)C)C2)cc1OC
InChIInChI=1S/C17H25NO5S/c1-12(2)24(20,21)18-9-5-6-14(11-18)17(19)13-7-8-15(22-3)16(10-13)23-4/h7-8,10,12,14H,5-6,9,11H2,1-4H3
InChIKeyBAVGHXDTTSZKLV-UHFFFAOYSA-N
XLogP2.34
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)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

(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 45188055
methyl (3S)-1-propan-2-ylsulfonylpiperidine-3-carboxylate
CID 79032500
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone
CID 110394645
3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one
CID 42346806
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
(3,4-dimethoxyphenyl)-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanone
CID 72908092
(3,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxy-4-methylbenzoyl)piperidin-3-yl]methanone
CID 95711372
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone (CID 45219831) is (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone is COc1ccc(C(=O)C2CCCN(S(=O)(=O)C(C)C)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is BAVGHXDTTSZKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-12(2)24(20,21)18-9-5-6-14(11-18)17(19)13-7-8-15(22-3)16(10-13)23-4/h7-8,10,12,14H,5-6,9,11H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone?
(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 355.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 45219831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).