tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate

C16H26N4O3 — CID 121021024

IUPACtert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCn1ccc(C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H26N4O3/c1-16(2,3)23-15(22)17-11-14(21)20-9-5-12(6-10-20)13-7-8-19(4)18-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,17,22)
InChIKeyBEPHTEFBWBODDL-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.65
Rot. Bonds3

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

tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 121021024) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID121021024
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCn1ccc(C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H26N4O3/c1-16(2,3)23-15(22)17-11-14(21)20-9-5-12(6-10-20)13-7-8-19(4)18-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,17,22)
InChIKeyBEPHTEFBWBODDL-UHFFFAOYSA-N
XLogP1.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate (CID 121021024) is tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate is Cn1ccc(C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is BEPHTEFBWBODDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-16(2,3)23-15(22)17-11-14(21)20-9-5-12(6-10-20)13-7-8-19(4)18-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,17,22).
What are the key properties of tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 121021024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).