tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate

C20H30N4O3 — CID 161299292

IUPACtert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)N1C(=O)Cc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21
InChIInChI=1S/C20H30N4O3/c1-13(2)24-17(25)11-15-16(8-9-21-18(15)24)23-10-6-7-14(12-23)22-19(26)27-20(3,4)5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,22,26)/t14-/m1/s1
InChIKeyZJRORWSBWSTOOZ-CQSZACIVSA-N
MW374.49 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate (PubChem CID 161299292) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate
PubChem CID161299292
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Nametert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)N1C(=O)Cc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21
InChIInChI=1S/C20H30N4O3/c1-13(2)24-17(25)11-15-16(8-9-21-18(15)24)23-10-6-7-14(12-23)22-19(26)27-20(3,4)5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,22,26)/t14-/m1/s1
InChIKeyZJRORWSBWSTOOZ-CQSZACIVSA-N
XLogP2.87
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate (CID 161299292) is tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate is CC(C)N1C(=O)Cc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.
What is the InChIKey of tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate?
The InChIKey is ZJRORWSBWSTOOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)24-17(25)11-15-16(8-9-21-18(15)24)23-10-6-7-14(12-23)22-19(26)27-20(3,4)5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,22,26)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate has a molecular weight of 374.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 161299292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).