4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C14H20N2O4S — CID 39999639

IUPAC4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-5-3-11(4-6-13)14(17)15-12-7-9-16(10-8-12)21(2,18)19/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeySBAAQPKBFVZREP-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.85
Rot. Bonds4

About 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide

4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 39999639) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID39999639
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-5-3-11(4-6-13)14(17)15-12-7-9-16(10-8-12)21(2,18)19/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeySBAAQPKBFVZREP-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide
CID 55909333
4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 46566529
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999696
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 39999639) is 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide is COc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is SBAAQPKBFVZREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13-5-3-11(4-6-13)14(17)15-12-7-9-16(10-8-12)21(2,18)19/h3-6,12H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 39999639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).