tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate

C18H24N2O5 — CID 167977498

IUPACtert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C(=O)c2ccccc2O)CC1
InChIInChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)19-12-8-10-20(11-9-12)16(23)15(22)13-6-4-5-7-14(13)21/h4-7,12,21H,8-11H2,1-3H3,(H,19,24)
InChIKeyYNRYAPJODXIXPY-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate (PubChem CID 167977498) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate
PubChem CID167977498
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nametert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C(=O)c2ccccc2O)CC1
InChIInChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)19-12-8-10-20(11-9-12)16(23)15(22)13-6-4-5-7-14(13)21/h4-7,12,21H,8-11H2,1-3H3,(H,19,24)
InChIKeyYNRYAPJODXIXPY-UHFFFAOYSA-N
XLogP2.09
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[3-oxo-3-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548266
tert-butyl N-[2-oxo-2-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548176
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate
CID 171905751

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate (CID 167977498) is tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)C(=O)c2ccccc2O)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate?
The InChIKey is YNRYAPJODXIXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)19-12-8-10-20(11-9-12)16(23)15(22)13-6-4-5-7-14(13)21/h4-7,12,21H,8-11H2,1-3H3,(H,19,24).
What are the key properties of tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 167977498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).