tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate

C23H28N4O2 — CID 93078429

IUPACtert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2cnc3ccccn23)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H28N4O2/c1-23(2,3)29-22(28)26-14-13-25(20(17-26)18-9-5-4-6-10-18)16-19-15-24-21-11-7-8-12-27(19)21/h4-12,15,20H,13-14,16-17H2,1-3H3/t20-/m0/s1
InChIKeyOWMXTPYYDXANRF-FQEVSTJZSA-N
MW392.50 g/mol
LogP4.13
Rot. Bonds3

About tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate

tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate (PubChem CID 93078429) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate
PubChem CID93078429
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Nametert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2cnc3ccccn23)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H28N4O2/c1-23(2,3)29-22(28)26-14-13-25(20(17-26)18-9-5-4-6-10-18)16-19-15-24-21-11-7-8-12-27(19)21/h4-12,15,20H,13-14,16-17H2,1-3H3/t20-/m0/s1
InChIKeyOWMXTPYYDXANRF-FQEVSTJZSA-N
XLogP4.13
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-oxamoyl-3-phenylpiperazine-1-carboxylate
CID 169115760
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(pyridin-2-ylmethyl)piperazine-2-carboxylic acid
CID 97173976
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 128982979
tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate
CID 100765596
tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 119037964
tert-butyl 4-(4-methyl-3-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110610516
tert-butyl 3-(imidazo[1,2-a]pyridin-5-ylmethyl)piperidine-1-carboxylate
CID 142415431
tert-butyl 6-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123975122
tert-butyl 4-benzyl-3-cyanopiperazine-1-carboxylate
CID 53413955
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
CID 101369674

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate (CID 93078429) is tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2cnc3ccccn23)[C@H](c2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate?
The InChIKey is OWMXTPYYDXANRF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-23(2,3)29-22(28)26-14-13-25(20(17-26)18-9-5-4-6-10-18)16-19-15-24-21-11-7-8-12-27(19)21/h4-12,15,20H,13-14,16-17H2,1-3H3/t20-/m0/s1.
What are the key properties of tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate?
tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 93078429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).