benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

C21H22N4O3 — CID 97170825

IUPACbenzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(=O)c1nc2cccnc2n1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H22N4O3/c1-15(26)19-23-18-10-5-11-22-20(18)25(19)17-9-6-12-24(13-17)21(27)28-14-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3/t17-/m1/s1
InChIKeyQUFJBIGQTVQIEP-QGZVFWFLSA-N
MW378.43 g/mol
LogP3.61
Rot. Bonds4

About benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 97170825) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID97170825
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Namebenzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(=O)c1nc2cccnc2n1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H22N4O3/c1-15(26)19-23-18-10-5-11-22-20(18)25(19)17-9-6-12-24(13-17)21(27)28-14-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3/t17-/m1/s1
InChIKeyQUFJBIGQTVQIEP-QGZVFWFLSA-N
XLogP3.61
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 71628881
benzyl (3S)-3-(2-acetylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 97170796
1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 97170827
1-[3-[(3S)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 97170828
benzyl (2S)-2-[(2-acetylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxylate
CID 97170831
benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
CID 71649918
benzyl (3R)-3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
CID 97166677
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (CID 97170825) is benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is CC(=O)c1nc2cccnc2n1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is QUFJBIGQTVQIEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(26)19-23-18-10-5-11-22-20(18)25(19)17-9-6-12-24(13-17)21(27)28-14-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3/t17-/m1/s1.
What are the key properties of benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 97170825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).