N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H24N2O5S — CID 3623876

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H24N2O5S/c1-22-14-4-5-15(23-2)13(10-14)11-17-16(19)12-6-8-18(9-7-12)24(3,20)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyQDQRPDPKGXROPO-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.99
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 3623876) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID3623876
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H24N2O5S/c1-22-14-4-5-15(23-2)13(10-14)11-17-16(19)12-6-8-18(9-7-12)24(3,20)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)
InChIKeyQDQRPDPKGXROPO-UHFFFAOYSA-N
XLogP0.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
N-[(2-methoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethenesulfonamido]propanamide
CID 16314228
1-((4-fluorophenyl)sulfonyl)-N-(3-((3-methoxybenzyl)amino)-3-oxopropyl)piperidine-4-carboxamide
CID 17585900
N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 894431
1-[(2,5-dimethoxyphenyl)sulfonyl]-N-(2-methoxybenzyl)-4-piperidinecarboxamide
CID 1093362
N-(2-methoxybenzyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2991331
1-(ethylsulfonyl)-N-(3-methoxybenzyl)piperidine-3-carboxamide
CID 3236733
N-(2,5-dimethoxybenzyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3238549
1-(ethylsulfonyl)-N-(2-methoxybenzyl)piperidine-4-carboxamide
CID 3239073
N~4~-(2,5-dimethoxybenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242125
N-(3-methoxybenzyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242418
N-[(2,5-Dimethoxyphenyl)methyl]-1-[(4-methylpiperidin-1-YL)sulfonyl]piperidine-4-carboxamide
CID 15997928

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 3623876) is N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(OC)c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is QDQRPDPKGXROPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-14-4-5-15(23-2)13(10-14)11-17-16(19)12-6-8-18(9-7-12)24(3,20)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3623876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).