[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate

C17H24N4O2 — CID 91338910

IUPAC[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)20-16(22)23-12-6-9-21(10-7-12)14-11-19-13-5-4-8-18-15(13)14/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3,(H,20,22)
InChIKeyHCFNOLCWQLEGRG-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.06
Rot. Bonds2

About [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate

[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 91338910) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
PubChem CID91338910
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)20-16(22)23-12-6-9-21(10-7-12)14-11-19-13-5-4-8-18-15(13)14/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3,(H,20,22)
InChIKeyHCFNOLCWQLEGRG-UHFFFAOYSA-N
XLogP3.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate 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 [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate (CID 91338910) is [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(c2c[nH]c3cccnc23)CC1.
What is the InChIKey of [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is HCFNOLCWQLEGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)20-16(22)23-12-6-9-21(10-7-12)14-11-19-13-5-4-8-18-15(13)14/h4-5,8,11-12,19H,6-7,9-10H2,1-3H3,(H,20,22).
What are the key properties of [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate?
[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 316.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 91338910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).