methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate

C18H25N3O6S — CID 146024645

IUPACmethyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(OC)c(C(N)=O)c3)C2)CC1
InChIInChI=1S/C18H25N3O6S/c1-26-16-4-3-14(9-15(16)17(19)22)28(24,25)21-10-13(11-21)20-7-5-12(6-8-20)18(23)27-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,19,22)
InChIKeyKYOAFMDAXVCHHO-UHFFFAOYSA-N
MW411.48 g/mol
LogP0.05
Rot. Bonds6

About methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate

methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate (PubChem CID 146024645) has the molecular formula C18H25N3O6S and a molecular weight of 411.48 g/mol. Its IUPAC name is methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
PubChem CID146024645
Molecular FormulaC18H25N3O6S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC Namemethyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(OC)c(C(N)=O)c3)C2)CC1
InChIInChI=1S/C18H25N3O6S/c1-26-16-4-3-14(9-15(16)17(19)22)28(24,25)21-10-13(11-21)20-7-5-12(6-8-20)18(23)27-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,19,22)
InChIKeyKYOAFMDAXVCHHO-UHFFFAOYSA-N
XLogP0.05
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide
CID 146024648
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
5-[(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)sulfonyl]-2-methoxybenzamide
CID 122273597
1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 28591148
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
2-methoxy-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531339
1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154139

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate (CID 146024645) is methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate is COC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(OC)c(C(N)=O)c3)C2)CC1.
What is the InChIKey of methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate?
The InChIKey is KYOAFMDAXVCHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6S/c1-26-16-4-3-14(9-15(16)17(19)22)28(24,25)21-10-13(11-21)20-7-5-12(6-8-20)18(23)27-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,19,22).
What are the key properties of methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate?
methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 146024645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).