methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate

C17H24N2O6S — CID 71809168

IUPACmethyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)C1CCN(C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O6S/c1-24-14-5-3-13(4-6-14)11-18-17(21)19-9-7-15(8-10-19)26(22,23)12-16(20)25-2/h3-6,15H,7-12H2,1-2H3,(H,18,21)
InChIKeyDPSLCQKKFONPNZ-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.96
Rot. Bonds6

About methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate

methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate (PubChem CID 71809168) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate
PubChem CID71809168
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Namemethyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)C1CCN(C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O6S/c1-24-14-5-3-13(4-6-14)11-18-17(21)19-9-7-15(8-10-19)26(22,23)12-16(20)25-2/h3-6,15H,7-12H2,1-2H3,(H,18,21)
InChIKeyDPSLCQKKFONPNZ-UHFFFAOYSA-N
XLogP0.96
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
CID 134161071
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide
CID 90593590
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate?
The IUPAC name of methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate (CID 71809168) is methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate is COC(=O)CS(=O)(=O)C1CCN(C(=O)NCc2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate?
The InChIKey is DPSLCQKKFONPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-24-14-5-3-13(4-6-14)11-18-17(21)19-9-7-15(8-10-19)26(22,23)12-16(20)25-2/h3-6,15H,7-12H2,1-2H3,(H,18,21).
What are the key properties of methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate?
methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate has a molecular weight of 384.45 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate is sourced from PubChem (CID 71809168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).