[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate

C19H28N4O3 — CID 70975667

IUPAC[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCCN(c2ccnc3c2NC(=O)C3(C)C)C1
InChIInChI=1S/C19H28N4O3/c1-18(2,3)22-17(25)26-12-7-6-10-23(11-12)13-8-9-20-15-14(13)21-16(24)19(15,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyDJTJUNYPLRGRCP-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.80
Rot. Bonds2

About [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate

[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate (PubChem CID 70975667) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
PubChem CID70975667
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCCN(c2ccnc3c2NC(=O)C3(C)C)C1
InChIInChI=1S/C19H28N4O3/c1-18(2,3)22-17(25)26-12-7-6-10-23(11-12)13-8-9-20-15-14(13)21-16(24)19(15,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyDJTJUNYPLRGRCP-UHFFFAOYSA-N
XLogP2.80
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174794058
[1-(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate
CID 70975673
[1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate
CID 123609179
[1-(5-nitro-2-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174683157
[1-[2-(ethylamino)-6-methyl-3-nitro-4-pyridinyl]piperidin-3-yl] N-tert-butylcarbamate
CID 70975415
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
CID 90281047
[(3R)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl] N-tert-butylcarbamate
CID 91380231
[1-(2-chloropyrimidin-4-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174432844
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 91338910
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate (CID 70975667) is [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCCN(c2ccnc3c2NC(=O)C3(C)C)C1.
What is the InChIKey of [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate?
The InChIKey is DJTJUNYPLRGRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-18(2,3)22-17(25)26-12-7-6-10-23(11-12)13-8-9-20-15-14(13)21-16(24)19(15,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate?
[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate has a molecular weight of 360.46 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 70975667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).