2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide

C15H18ClN3O3 — CID 51497975

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide
SMILESCN1CCC[C@@H](NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1
InChIInChI=1S/C15H18ClN3O3/c1-18-6-2-3-11(8-18)17-14(20)9-19-12-5-4-10(16)7-13(12)22-15(19)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyLVYSOSRQPZVRJQ-LLVKDONJSA-N
MW323.78 g/mol
LogP1.46
Rot. Bonds3

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide (PubChem CID 51497975) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide
PubChem CID51497975
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide
SMILESCN1CCC[C@@H](NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1
InChIInChI=1S/C15H18ClN3O3/c1-18-6-2-3-11(8-18)17-14(20)9-19-12-5-4-10(16)7-13(12)22-15(19)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyLVYSOSRQPZVRJQ-LLVKDONJSA-N
XLogP1.46
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 51498344
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8986591
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7046162
6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 41075219
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9273250
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide (CID 51497975) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide is CN1CCC[C@@H](NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide?
The InChIKey is LVYSOSRQPZVRJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-18-6-2-3-11(8-18)17-14(20)9-19-12-5-4-10(16)7-13(12)22-15(19)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide has a molecular weight of 323.78 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 51497975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).