ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

C20H28N2O7S — CID 55609575

IUPACethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C(=O)OC)CC2)cc1
InChIInChI=1S/C20H28N2O7S/c1-5-29-18(24)15-6-8-16(9-7-15)30(26,27)22-12-10-14(11-13-22)17(23)21-20(2,3)19(25)28-4/h6-9,14H,5,10-13H2,1-4H3,(H,21,23)
InChIKeyZVXRWOVKDNGFCR-UHFFFAOYSA-N
MW440.52 g/mol
LogP1.33
Rot. Bonds7

About ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate (PubChem CID 55609575) has the molecular formula C20H28N2O7S and a molecular weight of 440.52 g/mol. Its IUPAC name is ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate.

Molecular Properties

Compound Nameethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
PubChem CID55609575
Molecular FormulaC20H28N2O7S
Molecular Weight440.52 g/mol
Exact Mass440.16
IUPAC Nameethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C(=O)OC)CC2)cc1
InChIInChI=1S/C20H28N2O7S/c1-5-29-18(24)15-6-8-16(9-7-15)30(26,27)22-12-10-14(11-13-22)17(23)21-20(2,3)19(25)28-4/h6-9,14H,5,10-13H2,1-4H3,(H,21,23)
InChIKeyZVXRWOVKDNGFCR-UHFFFAOYSA-N
XLogP1.33
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate with MolForge

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Related Compounds

methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
CID 30875793
methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
CID 55600254
1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 2405279
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
ethyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
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CID 46443403
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 46612216
ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate
CID 100655496
ethyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119974949
ethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987752
ethyl 4-[[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]carbamothioylamino]benzoate
CID 2955027

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate?
The IUPAC name of ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate (CID 55609575) is ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate.
What is the SMILES notation for ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate?
The canonical SMILES for ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate is CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C(=O)OC)CC2)cc1.
What is the InChIKey of ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate?
The InChIKey is ZVXRWOVKDNGFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O7S/c1-5-29-18(24)15-6-8-16(9-7-15)30(26,27)22-12-10-14(11-13-22)17(23)21-20(2,3)19(25)28-4/h6-9,14H,5,10-13H2,1-4H3,(H,21,23).
What are the key properties of ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate?
ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate has a molecular weight of 440.52 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate is sourced from PubChem (CID 55609575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).