N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C15H22N2O4S — CID 17402330

IUPACN-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCON(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-12-8-10-17(11-9-12)22(19,20)14-6-4-13(5-7-14)15(18)16(2)21-3/h4-7,12H,8-11H2,1-3H3
InChIKeyUTQMQMKQTBDKQT-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.74
Rot. Bonds4

About N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 17402330) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID17402330
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCON(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-12-8-10-17(11-9-12)22(19,20)14-6-4-13(5-7-14)15(18)16(2)21-3/h4-7,12H,8-11H2,1-3H3
InChIKeyUTQMQMKQTBDKQT-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]-(2-methylpropyl)amino]propanoate
CID 55820096
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24542893
4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529858
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 8983500

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 17402330) is N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CON(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is UTQMQMKQTBDKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-8-10-17(11-9-12)22(19,20)14-6-4-13(5-7-14)15(18)16(2)21-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 17402330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).