(4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one

C17H28N2O3 — CID 129345065

IUPAC(4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one
SMILESCOC1(CC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)CCC1
InChIInChI=1S/C17H28N2O3/c1-16(2)14(18-15(16)21)12-5-9-19(10-6-12)13(20)11-17(22-3)7-4-8-17/h12,14H,4-11H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyIIISAPPUTNZJRM-CQSZACIVSA-N
MW308.42 g/mol
LogP1.71
Rot. Bonds4

About (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one

(4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one (PubChem CID 129345065) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one
PubChem CID129345065
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one
SMILESCOC1(CC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)CCC1
InChIInChI=1S/C17H28N2O3/c1-16(2)14(18-15(16)21)12-5-9-19(10-6-12)13(20)11-17(22-3)7-4-8-17/h12,14H,4-11H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyIIISAPPUTNZJRM-CQSZACIVSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one?
The IUPAC name of (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one (CID 129345065) is (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one.
What is the SMILES notation for (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one?
The canonical SMILES for (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one is COC1(CC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)CCC1.
What is the InChIKey of (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one?
The InChIKey is IIISAPPUTNZJRM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-16(2)14(18-15(16)21)12-5-9-19(10-6-12)13(20)11-17(22-3)7-4-8-17/h12,14H,4-11H2,1-3H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one?
(4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one has a molecular weight of 308.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 129345065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).