[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate

C21H22N4O4 — CID 22364124

IUPAC[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate
SMILESNCc1ccc2nc(-c3ccc(C(=O)N4CCC(OC(=O)O)CC4)cc3)cn2c1
InChIInChI=1S/C21H22N4O4/c22-11-14-1-6-19-23-18(13-25(19)12-14)15-2-4-16(5-3-15)20(26)24-9-7-17(8-10-24)29-21(27)28/h1-6,12-13,17H,7-11,22H2,(H,27,28)
InChIKeyDLMDIXBFNJCBBA-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.76
Rot. Bonds4

About [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate

[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate (PubChem CID 22364124) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate
PubChem CID22364124
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate
SMILESNCc1ccc2nc(-c3ccc(C(=O)N4CCC(OC(=O)O)CC4)cc3)cn2c1
InChIInChI=1S/C21H22N4O4/c22-11-14-1-6-19-23-18(13-25(19)12-14)15-2-4-16(5-3-15)20(26)24-9-7-17(8-10-24)29-21(27)28/h1-6,12-13,17H,7-11,22H2,(H,27,28)
InChIKeyDLMDIXBFNJCBBA-UHFFFAOYSA-N
XLogP2.76
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate with MolForge

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Related Compounds

tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate
CID 67814505
1-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperidine-4-carbonitrile
CID 70707501
tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate
CID 19965383
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 96574025
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021351
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid
CID 19419554
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-(3-propoxypiperidin-1-yl)methanone
CID 72859474
N-[1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]pyrrolidin-3-yl]acetamide
CID 72940598

Frequently Asked Questions

What is the IUPAC name of [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate?
The IUPAC name of [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate (CID 22364124) is [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate.
What is the SMILES notation for [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate?
The canonical SMILES for [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate is NCc1ccc2nc(-c3ccc(C(=O)N4CCC(OC(=O)O)CC4)cc3)cn2c1.
What is the InChIKey of [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate?
The InChIKey is DLMDIXBFNJCBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c22-11-14-1-6-19-23-18(13-25(19)12-14)15-2-4-16(5-3-15)20(26)24-9-7-17(8-10-24)29-21(27)28/h1-6,12-13,17H,7-11,22H2,(H,27,28).
What are the key properties of [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate?
[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate has a molecular weight of 394.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate is sourced from PubChem (CID 22364124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).