3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one

C18H23N3O3 — CID 155555428

IUPAC3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C18H23N3O3/c22-17(13-21-15-5-1-2-6-16(15)24-18(21)23)20-11-7-14(8-12-20)19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13H2
InChIKeyGSDYVXNFXDPEEM-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.68
Rot. Bonds3

About 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one

3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 155555428) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID155555428
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C18H23N3O3/c22-17(13-21-15-5-1-2-6-16(15)24-18(21)23)20-11-7-14(8-12-20)19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13H2
InChIKeyGSDYVXNFXDPEEM-UHFFFAOYSA-N
XLogP1.68
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one (CID 155555428) is 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is GSDYVXNFXDPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(13-21-15-5-1-2-6-16(15)24-18(21)23)20-11-7-14(8-12-20)19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13H2.
What are the key properties of 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 155555428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).