1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one

C15H26N2O — CID 134076360

IUPAC1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2CN(CC3CCCC3)C2C1
InChIInChI=1S/C15H26N2O/c1-11(2)15(18)17-9-13-8-16(14(13)10-17)7-12-5-3-4-6-12/h11-14H,3-10H2,1-2H3
InChIKeyDXGUADQXSCYELP-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.98
Rot. Bonds3

About 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one

1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one (PubChem CID 134076360) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one
PubChem CID134076360
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2CN(CC3CCCC3)C2C1
InChIInChI=1S/C15H26N2O/c1-11(2)15(18)17-9-13-8-16(14(13)10-17)7-12-5-3-4-6-12/h11-14H,3-10H2,1-2H3
InChIKeyDXGUADQXSCYELP-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one (CID 134076360) is 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC2CN(CC3CCCC3)C2C1.
What is the InChIKey of 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one?
The InChIKey is DXGUADQXSCYELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)15(18)17-9-13-8-16(14(13)10-17)7-12-5-3-4-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one?
1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one has a molecular weight of 250.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopentylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 134076360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).