tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate

C15H27N5O2 — CID 123407370

IUPACtert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1nc(C2CCNCC2)cc1N
InChIInChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)18-8-9-20-13(16)10-12(19-20)11-4-6-17-7-5-11/h10-11,17H,4-9,16H2,1-3H3,(H,18,21)
InChIKeyCSMFNOTWGORCDS-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.46
Rot. Bonds4

About tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate

tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate (PubChem CID 123407370) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate
PubChem CID123407370
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Nametert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1nc(C2CCNCC2)cc1N
InChIInChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)18-8-9-20-13(16)10-12(19-20)11-4-6-17-7-5-11/h10-11,17H,4-9,16H2,1-3H3,(H,18,21)
InChIKeyCSMFNOTWGORCDS-UHFFFAOYSA-N
XLogP1.46
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate (CID 123407370) is tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1nc(C2CCNCC2)cc1N.
What is the InChIKey of tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate?
The InChIKey is CSMFNOTWGORCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)18-8-9-20-13(16)10-12(19-20)11-4-6-17-7-5-11/h10-11,17H,4-9,16H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-amino-3-piperidin-4-ylpyrazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 123407370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).