(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide

C20H21N3O2 — CID 94110566

IUPAC(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C20H21N3O2/c21-19(24)18(14-7-2-1-3-8-14)23-12-6-9-15(13-23)20-22-16-10-4-5-11-17(16)25-20/h1-5,7-8,10-11,15,18H,6,9,12-13H2,(H2,21,24)/t15-,18-/m0/s1
InChIKeyQUARENINJXTUAQ-YJBOKZPZSA-N
MW335.41 g/mol
LogP3.23
Rot. Bonds4

About (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide

(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide (PubChem CID 94110566) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
PubChem CID94110566
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C20H21N3O2/c21-19(24)18(14-7-2-1-3-8-14)23-12-6-9-15(13-23)20-22-16-10-4-5-11-17(16)25-20/h1-5,7-8,10-11,15,18H,6,9,12-13H2,(H2,21,24)/t15-,18-/m0/s1
InChIKeyQUARENINJXTUAQ-YJBOKZPZSA-N
XLogP3.23
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide 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

(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 95315033
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46402844
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
4-[[(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]propanoyl]amino]benzamide
CID 31986928
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 31987220
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 46444293
2-[(3S)-1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 95786176
2-[(3S)-1-[(1R)-1-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 95786177
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chlorophenyl)propanamide
CID 46402796
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 46402845
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 37078163
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86984007

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide (CID 94110566) is (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide is NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1.
What is the InChIKey of (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is QUARENINJXTUAQ-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-19(24)18(14-7-2-1-3-8-14)23-12-6-9-15(13-23)20-22-16-10-4-5-11-17(16)25-20/h1-5,7-8,10-11,15,18H,6,9,12-13H2,(H2,21,24)/t15-,18-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide?
(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 335.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 94110566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).