2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one

C19H26N2O2 — CID 139629874

IUPAC2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one
SMILESCc1ccc2on(CCC3CCN(CC4CC4)CC3)c(=O)c2c1
InChIInChI=1S/C19H26N2O2/c1-14-2-5-18-17(12-14)19(22)21(23-18)11-8-15-6-9-20(10-7-15)13-16-3-4-16/h2,5,12,15-16H,3-4,6-11,13H2,1H3
InChIKeyBSYPDOWKZMWQGD-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one

2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one (PubChem CID 139629874) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one
PubChem CID139629874
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one
SMILESCc1ccc2on(CCC3CCN(CC4CC4)CC3)c(=O)c2c1
InChIInChI=1S/C19H26N2O2/c1-14-2-5-18-17(12-14)19(22)21(23-18)11-8-15-6-9-20(10-7-15)13-16-3-4-16/h2,5,12,15-16H,3-4,6-11,13H2,1H3
InChIKeyBSYPDOWKZMWQGD-UHFFFAOYSA-N
XLogP3.42
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one?
The IUPAC name of 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one (CID 139629874) is 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one.
What is the SMILES notation for 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one?
The canonical SMILES for 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one is Cc1ccc2on(CCC3CCN(CC4CC4)CC3)c(=O)c2c1.
What is the InChIKey of 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one?
The InChIKey is BSYPDOWKZMWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-2-5-18-17(12-14)19(22)21(23-18)11-8-15-6-9-20(10-7-15)13-16-3-4-16/h2,5,12,15-16H,3-4,6-11,13H2,1H3.
What are the key properties of 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one?
2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one has a molecular weight of 314.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5-methyl-1,2-benzoxazol-3-one is sourced from PubChem (CID 139629874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).