2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide

C20H26ClN3O3 — CID 154569018

IUPAC2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCN(CC1(C)COC1)C(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1
InChIInChI=1S/C20H26ClN3O3/c1-20(12-26-13-20)11-23(2)18(25)8-14-4-3-7-24(10-14)19-22-16-6-5-15(21)9-17(16)27-19/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3
InChIKeyLACFCZFRZCEVNY-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.58
Rot. Bonds5

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 154569018) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
PubChem CID154569018
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCN(CC1(C)COC1)C(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1
InChIInChI=1S/C20H26ClN3O3/c1-20(12-26-13-20)11-23(2)18(25)8-14-4-3-7-24(10-14)19-22-16-6-5-15(21)9-17(16)27-19/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3
InChIKeyLACFCZFRZCEVNY-UHFFFAOYSA-N
XLogP3.58
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 154569018) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide is CN(CC1(C)COC1)C(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1.
What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The InChIKey is LACFCZFRZCEVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-20(12-26-13-20)11-23(2)18(25)8-14-4-3-7-24(10-14)19-22-16-6-5-15(21)9-17(16)27-19/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide?
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 391.90 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 154569018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).