3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide

C23H27N3O3 — CID 110244360

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NC(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c27-22(13-16-26-20-11-5-6-12-21(20)29-23(26)28)24-19(18-9-3-1-4-10-18)17-25-14-7-2-8-15-25/h1,3-6,9-12,19H,2,7-8,13-17H2,(H,24,27)
InChIKeyYIHACFWOCRSCAP-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.33
Rot. Bonds7

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide (PubChem CID 110244360) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide
PubChem CID110244360
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NC(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c27-22(13-16-26-20-11-5-6-12-21(20)29-23(26)28)24-19(18-9-3-1-4-10-18)17-25-14-7-2-8-15-25/h1,3-6,9-12,19H,2,7-8,13-17H2,(H,24,27)
InChIKeyYIHACFWOCRSCAP-UHFFFAOYSA-N
XLogP3.33
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 24682652
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91630055
N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55689930
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
3-[3-(azepan-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 53215587
2-[3-oxo-3-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propyl]benzoic acid
CID 57078839
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9268625
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide (CID 110244360) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NC(CN1CCCCC1)c1ccccc1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide?
The InChIKey is YIHACFWOCRSCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(13-16-26-20-11-5-6-12-21(20)29-23(26)28)24-19(18-9-3-1-4-10-18)17-25-14-7-2-8-15-25/h1,3-6,9-12,19H,2,7-8,13-17H2,(H,24,27).
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide has a molecular weight of 393.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 110244360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).