6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one

C20H28N2O3 — CID 10545402

IUPAC6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one
SMILESCCCCC(=O)c1ccc2c(c1)oc(=O)n2CCCN1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-2-3-8-18(23)16-9-10-17-19(15-16)25-20(24)22(17)14-7-13-21-11-5-4-6-12-21/h9-10,15H,2-8,11-14H2,1H3
InChIKeyKKDZVUSVCNHGRX-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.84
Rot. Bonds8

About 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one

6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one (PubChem CID 10545402) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one
PubChem CID10545402
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one
SMILESCCCCC(=O)c1ccc2c(c1)oc(=O)n2CCCN1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-2-3-8-18(23)16-9-10-17-19(15-16)25-20(24)22(17)14-7-13-21-11-5-4-6-12-21/h9-10,15H,2-8,11-14H2,1H3
InChIKeyKKDZVUSVCNHGRX-UHFFFAOYSA-N
XLogP3.84
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one (CID 10545402) is 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one is CCCCC(=O)c1ccc2c(c1)oc(=O)n2CCCN1CCCCC1.
What is the InChIKey of 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one?
The InChIKey is KKDZVUSVCNHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-3-8-18(23)16-9-10-17-19(15-16)25-20(24)22(17)14-7-13-21-11-5-4-6-12-21/h9-10,15H,2-8,11-14H2,1H3.
What are the key properties of 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one?
6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one has a molecular weight of 344.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentanoyl-3-(3-piperidin-1-ylpropyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 10545402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).