(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone

C14H25N3O2 — CID 122269132

IUPAC(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)N1CCN(C)CC1
InChIInChI=1S/C14H25N3O2/c1-15-5-7-16(8-6-15)14(18)17-11-3-4-12(17)10-13(9-11)19-2/h11-13H,3-10H2,1-2H3
InChIKeyYTEAYTZWESGABB-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.00
Rot. Bonds1

About (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone

(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 122269132) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID122269132
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)N1CCN(C)CC1
InChIInChI=1S/C14H25N3O2/c1-15-5-7-16(8-6-15)14(18)17-11-3-4-12(17)10-13(9-11)19-2/h11-13H,3-10H2,1-2H3
InChIKeyYTEAYTZWESGABB-UHFFFAOYSA-N
XLogP1.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone (CID 122269132) is (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone is COC1CC2CCC(C1)N2C(=O)N1CCN(C)CC1.
What is the InChIKey of (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YTEAYTZWESGABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15-5-7-16(8-6-15)14(18)17-11-3-4-12(17)10-13(9-11)19-2/h11-13H,3-10H2,1-2H3.
What are the key properties of (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone?
(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 267.37 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 122269132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).