tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate

C18H23N3O5 — CID 110608133

IUPACtert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)21-8-6-11(7-9-21)15(22)19-12-4-5-13-14(10-12)25-16(23)20-13/h4-5,10-11H,6-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyGIZZBAZVOZBUTD-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110608133) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID110608133
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Nametert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)21-8-6-11(7-9-21)15(22)19-12-4-5-13-14(10-12)25-16(23)20-13/h4-5,10-11H,6-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyGIZZBAZVOZBUTD-UHFFFAOYSA-N
XLogP2.71
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964
tert-butyl 4-[(3-methyl-2-oxo-1H-quinolin-7-yl)carbamoyl]piperidine-1-carboxylate
CID 110613668
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
tert-butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 29357036
tert-butyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 36570789
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide
CID 110608206
tert-butyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 158081768
tert-butyl 5-(cyclopropanecarbonylamino)-1,3-dihydroisoindole-2-carboxylate
CID 153322492
tert-butyl 2-[[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]carbamoyl]pyrrolidine-1-carboxylate
CID 86791447
tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
CID 137439609
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
CID 156708870
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 60850506

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate (CID 110608133) is tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(=O)oc3c2)CC1.
What is the InChIKey of tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is GIZZBAZVOZBUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)21-8-6-11(7-9-21)15(22)19-12-4-5-13-14(10-12)25-16(23)20-13/h4-5,10-11H,6-9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110608133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).