2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide

C19H27N3O2 — CID 56703214

IUPAC2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
SMILESCC(C)N1CCCC(CCNC(=O)Cc2noc3ccccc23)C1
InChIInChI=1S/C19H27N3O2/c1-14(2)22-11-5-6-15(13-22)9-10-20-19(23)12-17-16-7-3-4-8-18(16)24-21-17/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,20,23)
InChIKeyWBDKNRVVKXZKDX-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.00
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide (PubChem CID 56703214) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
PubChem CID56703214
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
SMILESCC(C)N1CCCC(CCNC(=O)Cc2noc3ccccc23)C1
InChIInChI=1S/C19H27N3O2/c1-14(2)22-11-5-6-15(13-22)9-10-20-19(23)12-17-16-7-3-4-8-18(16)24-21-17/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,20,23)
InChIKeyWBDKNRVVKXZKDX-UHFFFAOYSA-N
XLogP3.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94819513
2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 22519759
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
CID 52861521
2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98755527
2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
CID 126779890
2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 51082256
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate
CID 13247709
N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282973

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide (CID 56703214) is 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide is CC(C)N1CCCC(CCNC(=O)Cc2noc3ccccc23)C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide?
The InChIKey is WBDKNRVVKXZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)22-11-5-6-15(13-22)9-10-20-19(23)12-17-16-7-3-4-8-18(16)24-21-17/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,20,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 3.00, 6 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-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 56703214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).