tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate

C20H28N4O5S — CID 52832197

IUPACtert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C20H28N4O5S/c1-20(2,3)29-19(26)21-13-14-9-5-7-11-23(14)17(25)16-15-10-6-8-12-24(15)18(22-16)30(4,27)28/h6,8,10,12,14H,5,7,9,11,13H2,1-4H3,(H,21,26)/t14-/m0/s1
InChIKeyVKGHOKAVRYZQMF-AWEZNQCLSA-N
MW436.53 g/mol
LogP2.26
Rot. Bonds4

About tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate

tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate (PubChem CID 52832197) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
PubChem CID52832197
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Nametert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C20H28N4O5S/c1-20(2,3)29-19(26)21-13-14-9-5-7-11-23(14)17(25)16-15-10-6-8-12-24(15)18(22-16)30(4,27)28/h6,8,10,12,14H,5,7,9,11,13H2,1-4H3,(H,21,26)/t14-/m0/s1
InChIKeyVKGHOKAVRYZQMF-AWEZNQCLSA-N
XLogP2.26
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(2R)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate
CID 52832198
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 119650736
(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 51094587
[(2S)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508515
[(2R)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508516
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
3-methylsulfonyl-N-prop-2-ynylimidazo[1,5-a]pyridine-1-carboxamide
CID 47401298
1-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066389
(2-ethylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109068501
N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 123993971
azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109071586

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate (CID 52832197) is tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12.
What is the InChIKey of tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate?
The InChIKey is VKGHOKAVRYZQMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-20(2,3)29-19(26)21-13-14-9-5-7-11-23(14)17(25)16-15-10-6-8-12-24(15)18(22-16)30(4,27)28/h6,8,10,12,14H,5,7,9,11,13H2,1-4H3,(H,21,26)/t14-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate has a molecular weight of 436.53 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-1-(3-methylsulfonylimidazo[1,5-a]pyridine-1-carbonyl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 52832197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).