tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate

C14H22N4O2 — CID 118054997

IUPACtert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccnnc2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)17-11-5-8-18(9-6-11)12-4-7-15-16-10-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,19)
InChIKeyMEKQVRCERLUZKS-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.97
Rot. Bonds2

About tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate

tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate (PubChem CID 118054997) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate
PubChem CID118054997
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccnnc2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)17-11-5-8-18(9-6-11)12-4-7-15-16-10-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,19)
InChIKeyMEKQVRCERLUZKS-UHFFFAOYSA-N
XLogP1.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate (CID 118054997) is tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccnnc2)CC1.
What is the InChIKey of tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate?
The InChIKey is MEKQVRCERLUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)17-11-5-8-18(9-6-11)12-4-7-15-16-10-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate?
tert-butyl N-(1-pyridazin-4-ylpiperidin-4-yl)carbamate has a molecular weight of 278.36 g/mol, XLogP of 1.97, 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-pyridazin-4-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 118054997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).