methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate

C15H26N2O2 — CID 83986068

IUPACmethyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate
SMILESCCCN1CC2C3CCN(CC3)C2C1CC(=O)OC
InChIInChI=1S/C15H26N2O2/c1-3-6-17-10-12-11-4-7-16(8-5-11)15(12)13(17)9-14(18)19-2/h11-13,15H,3-10H2,1-2H3
InChIKeyRLKGZBGXBJCVCP-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate

methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate (PubChem CID 83986068) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate
PubChem CID83986068
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namemethyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate
SMILESCCCN1CC2C3CCN(CC3)C2C1CC(=O)OC
InChIInChI=1S/C15H26N2O2/c1-3-6-17-10-12-11-4-7-16(8-5-11)15(12)13(17)9-14(18)19-2/h11-13,15H,3-10H2,1-2H3
InChIKeyRLKGZBGXBJCVCP-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carbonitrile
CID 112541060
ethyl 4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carboxylate
CID 83986025
methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate
CID 83985995
2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine
CID 112541055
1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
CID 83986048
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine
CID 112541034
methyl 2-[1-[methylidene(propyl)-λ4-sulfanyl]piperidin-4-yl]acetate
CID 58553185
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate?
The IUPAC name of methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate (CID 83986068) is methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate?
The canonical SMILES for methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate is CCCN1CC2C3CCN(CC3)C2C1CC(=O)OC.
What is the InChIKey of methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate?
The InChIKey is RLKGZBGXBJCVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-6-17-10-12-11-4-7-16(8-5-11)15(12)13(17)9-14(18)19-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate?
methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate has a molecular weight of 266.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate is sourced from PubChem (CID 83986068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).