3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one

C17H22N2O3 — CID 10733148

IUPAC3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one
SMILESCCC(=O)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-2-15(20)13-6-7-14-16(12-13)22-17(21)19(14)11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3
InChIKeyMCMOXYXGAKGLRW-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.67
Rot. Bonds5

About 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one

3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one (PubChem CID 10733148) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one
PubChem CID10733148
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one
SMILESCCC(=O)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-2-15(20)13-6-7-14-16(12-13)22-17(21)19(14)11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3
InChIKeyMCMOXYXGAKGLRW-UHFFFAOYSA-N
XLogP2.67
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

Nan 190
CID 4431
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
2(3H)-Benzoxazolone, 6-acetyl-
CID 689054
Emd 95885
CID 177328
3-(1-Piperidinopropyl)-6-propanoyl benzoxazolin-2-one, 6
CID 10313682
6-acetyl-3-(4-(4-(4-fluorophenyl)piperazin-1-yl)butyl)benzo(d)oxazol-2(3H)-one
CID 24763643
PF-8380
CID 25265312
2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-
CID 657655
2(3H)-Benzoxazolone, 6-(phenylacetyl)-
CID 391454
6-Benzoyl-2(3H)-benzoxazolone
CID 41225
6-(1-Oxopropyl)-2(3H)-benzoxazolone
CID 3042947
3-[4-[4-(4-Acetylphenyl)piperazin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 8128871

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one (CID 10733148) is 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one is CCC(=O)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one?
The InChIKey is MCMOXYXGAKGLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-15(20)13-6-7-14-16(12-13)22-17(21)19(14)11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one?
3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-6-propanoyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 10733148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).