2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide

C18H25N3O2 — CID 94819513

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN([C@@H](C)CNC(=O)Cc2noc3ccccc23)CC1
InChIInChI=1S/C18H25N3O2/c1-13-7-9-21(10-8-13)14(2)12-19-18(22)11-16-15-5-3-4-6-17(15)23-20-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyWDWFGJBEYAZNKU-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.61
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 94819513) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID94819513
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN([C@@H](C)CNC(=O)Cc2noc3ccccc23)CC1
InChIInChI=1S/C18H25N3O2/c1-13-7-9-21(10-8-13)14(2)12-19-18(22)11-16-15-5-3-4-6-17(15)23-20-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyWDWFGJBEYAZNKU-AWEZNQCLSA-N
XLogP2.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650034
2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
CID 56703214
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812591
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730689
2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 22519759
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-methoxybutanoic acid
CID 103153009
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 94811013
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 110620662
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98513197

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide (CID 94819513) is 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide is CC1CCN([C@@H](C)CNC(=O)Cc2noc3ccccc23)CC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is WDWFGJBEYAZNKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-9-21(10-8-13)14(2)12-19-18(22)11-16-15-5-3-4-6-17(15)23-20-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 94819513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).