3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one

C15H28N2O4S — CID 171142393

IUPAC3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one
SMILESCOC1C(=O)N(C(C)C)C1C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H28N2O4S/c1-10(2)17-13(14(21-5)15(17)18)12-6-8-16(9-7-12)22(19,20)11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyKIEKNQDTCBUWST-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.07
Rot. Bonds5

About 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one

3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one (PubChem CID 171142393) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one.

Molecular Properties

Compound Name3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one
PubChem CID171142393
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one
SMILESCOC1C(=O)N(C(C)C)C1C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H28N2O4S/c1-10(2)17-13(14(21-5)15(17)18)12-6-8-16(9-7-12)22(19,20)11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyKIEKNQDTCBUWST-UHFFFAOYSA-N
XLogP1.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 69119499
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
CID 62217499
(3R,4S)-3-methoxy-1-propan-2-yl-4-prop-1-en-2-ylazetidin-2-one
CID 101376903
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 61356516
1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine
CID 121165139
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
4-bromo-3-methyl-1-propan-2-ylsulfonylpiperidine
CID 114683726
(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
CID 178109240
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine
CID 90592398
4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxy-1-propan-2-ylsulfonylpiperidine
CID 67448980

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one?
The IUPAC name of 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one (CID 171142393) is 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one.
What is the SMILES notation for 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one?
The canonical SMILES for 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one is COC1C(=O)N(C(C)C)C1C1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one?
The InChIKey is KIEKNQDTCBUWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-10(2)17-13(14(21-5)15(17)18)12-6-8-16(9-7-12)22(19,20)11(3)4/h10-14H,6-9H2,1-5H3.
What are the key properties of 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one?
3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one has a molecular weight of 332.47 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one is sourced from PubChem (CID 171142393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).