tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide

C22H36N2O3 — CID 174760700

IUPACtert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCC(C)(C)OC=O.CC(C)(C)c1ccc(C(=O)NCC2CCNCC2)cc1
InChIInChI=1S/C17H26N2O.C5H10O2/c1-17(2,3)15-6-4-14(5-7-15)16(20)19-12-13-8-10-18-11-9-13;1-5(2,3)7-4-6/h4-7,13,18H,8-12H2,1-3H3,(H,19,20);4H,1-3H3
InChIKeyZJLDZCYJNOYAJX-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide

tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 174760700) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Nametert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID174760700
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Nametert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCC(C)(C)OC=O.CC(C)(C)c1ccc(C(=O)NCC2CCNCC2)cc1
InChIInChI=1S/C17H26N2O.C5H10O2/c1-17(2,3)15-6-4-14(5-7-15)16(20)19-12-13-8-10-18-11-9-13;1-5(2,3)7-4-6/h4-7,13,18H,8-12H2,1-3H3,(H,19,20);4H,1-3H3
InChIKeyZJLDZCYJNOYAJX-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide (CID 174760700) is tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide is CC(C)(C)OC=O.CC(C)(C)c1ccc(C(=O)NCC2CCNCC2)cc1.
What is the InChIKey of tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is ZJLDZCYJNOYAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C5H10O2/c1-17(2,3)15-6-4-14(5-7-15)16(20)19-12-13-8-10-18-11-9-13;1-5(2,3)7-4-6/h4-7,13,18H,8-12H2,1-3H3,(H,19,20);4H,1-3H3.
What are the key properties of tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide?
tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 376.54 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 174760700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).