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

C18H24ClN3O3 — CID 51498344

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
SMILESCC(C)N1CCC[C@H](CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1
InChIInChI=1S/C18H24ClN3O3/c1-12(2)21-7-3-4-13(10-21)9-20-17(23)11-22-15-6-5-14(19)8-16(15)25-18(22)24/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeySUQBEFCQHMCGDR-CYBMUJFWSA-N
MW365.86 g/mol
LogP2.48
Rot. Bonds5

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

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide (PubChem CID 51498344) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
PubChem CID51498344
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
SMILESCC(C)N1CCC[C@H](CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1
InChIInChI=1S/C18H24ClN3O3/c1-12(2)21-7-3-4-13(10-21)9-20-17(23)11-22-15-6-5-14(19)8-16(15)25-18(22)24/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeySUQBEFCQHMCGDR-CYBMUJFWSA-N
XLogP2.48
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.48
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-[(3R)-1-methylpiperidin-3-yl]acetamide
CID 51497975
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-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 20949297
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-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
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-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986308
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-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8986591
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95220651
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide (CID 51498344) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide is CC(C)N1CCC[C@H](CNC(=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-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The InChIKey is SUQBEFCQHMCGDR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-12(2)21-7-3-4-13(10-21)9-20-17(23)11-22-15-6-5-14(19)8-16(15)25-18(22)24/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide has a molecular weight of 365.86 g/mol, XLogP of 2.48, 5 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-propan-2-ylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 51498344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).