2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C22H25N3O3 — CID 37076696

IUPAC2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C22H25N3O3/c1-27-19-10-4-2-7-16(19)13-23-21(26)15-25-12-6-8-17(14-25)22-24-18-9-3-5-11-20(18)28-22/h2-5,7,9-11,17H,6,8,12-15H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyQEXMCBQINFPSJP-QGZVFWFLSA-N
MW379.46 g/mol
LogP3.33
Rot. Bonds6

About 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 37076696) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID37076696
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1
InChIInChI=1S/C22H25N3O3/c1-27-19-10-4-2-7-16(19)13-23-21(26)15-25-12-6-8-17(14-25)22-24-18-9-3-5-11-20(18)28-22/h2-5,7,9-11,17H,6,8,12-15H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyQEXMCBQINFPSJP-QGZVFWFLSA-N
XLogP3.33
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46402836
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 71893273
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55680271
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 91792073
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55680361

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 37076696) is 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1.
What is the InChIKey of 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is QEXMCBQINFPSJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-19-10-4-2-7-16(19)13-23-21(26)15-25-12-6-8-17(14-25)22-24-18-9-3-5-11-20(18)28-22/h2-5,7,9-11,17H,6,8,12-15H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 37076696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).