tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate

C17H23N3O3 — CID 71632159

IUPACtert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)18-12-8-10-20(11-9-12)15-19-13-6-4-5-7-14(13)22-15/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyXONGFODEGAKEFN-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate (PubChem CID 71632159) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
PubChem CID71632159
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)18-12-8-10-20(11-9-12)15-19-13-6-4-5-7-14(13)22-15/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyXONGFODEGAKEFN-UHFFFAOYSA-N
XLogP3.32
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 71632456
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-(5-nitro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632088
1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 42014957
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307563
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
CID 121109371
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512788
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 71648476

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate (CID 71632159) is tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate?
The InChIKey is XONGFODEGAKEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)18-12-8-10-20(11-9-12)15-19-13-6-4-5-7-14(13)22-15/h4-7,12H,8-11H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 71632159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).