5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one

C19H23ClN2O3 — CID 46959716

IUPAC5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESO=C(C1CCCCC1)N1CCCC(n2c(=O)oc3ccc(Cl)cc32)C1
InChIInChI=1S/C19H23ClN2O3/c20-14-8-9-17-16(11-14)22(19(24)25-17)15-7-4-10-21(12-15)18(23)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12H2
InChIKeyJUEYNNQVIKLRTR-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.99
Rot. Bonds2

About 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one

5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one (PubChem CID 46959716) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one
PubChem CID46959716
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESO=C(C1CCCCC1)N1CCCC(n2c(=O)oc3ccc(Cl)cc32)C1
InChIInChI=1S/C19H23ClN2O3/c20-14-8-9-17-16(11-14)22(19(24)25-17)15-7-4-10-21(12-15)18(23)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12H2
InChIKeyJUEYNNQVIKLRTR-UHFFFAOYSA-N
XLogP3.99
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-(adamantane-1-carbonyl)piperidin-3-yl]-5-chloro-1,3-benzoxazol-2-one
CID 92571892
5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 110219556
5-chloro-3-[(3S)-1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 95808212
3-cyclopentyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82479715
5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 46959731
5-chloro-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 92576656
6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 60526702
3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-5-chloro-1,3-benzoxazol-2-one
CID 92760991
1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide
CID 171387841
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141982
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one (CID 46959716) is 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one is O=C(C1CCCCC1)N1CCCC(n2c(=O)oc3ccc(Cl)cc32)C1.
What is the InChIKey of 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one?
The InChIKey is JUEYNNQVIKLRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c20-14-8-9-17-16(11-14)22(19(24)25-17)15-7-4-10-21(12-15)18(23)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12H2.
What are the key properties of 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one?
5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one has a molecular weight of 362.86 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 46959716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).