N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide

C16H21N3O2 — CID 91792073

IUPACN-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NCc2nc3ccccc3o2)C1
InChIInChI=1S/C16H21N3O2/c1-12-5-4-8-19(10-12)11-15(20)17-9-16-18-13-6-2-3-7-14(13)21-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20)
InChIKeyDHZIEJNHCIFERE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.18
Rot. Bonds4

About N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide

N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 91792073) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID91792073
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NCc2nc3ccccc3o2)C1
InChIInChI=1S/C16H21N3O2/c1-12-5-4-8-19(10-12)11-15(20)17-9-16-18-13-6-2-3-7-14(13)21-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20)
InChIKeyDHZIEJNHCIFERE-UHFFFAOYSA-N
XLogP2.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 37076696
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 125172224
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 18103292
N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide
CID 91761912
N-(1,3-benzoxazol-2-ylmethyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166296389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide (CID 91792073) is N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)NCc2nc3ccccc3o2)C1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is DHZIEJNHCIFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-5-4-8-19(10-12)11-15(20)17-9-16-18-13-6-2-3-7-14(13)21-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 91792073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).