N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride

C20H24Cl2N4O2 — CID 119875040

IUPACN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)C1CCCNC1
InChIInChI=1S/C20H22N4O2.2ClH/c25-20(15-5-4-9-21-12-15)23-16-6-3-7-18(11-16)26-14-17-13-24-10-2-1-8-19(24)22-17;;/h1-3,6-8,10-11,13,15,21H,4-5,9,12,14H2,(H,23,25);2*1H
InChIKeyBZPBFTJXAOLQFE-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.69
Rot. Bonds5

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119875040) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119875040
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)C1CCCNC1
InChIInChI=1S/C20H22N4O2.2ClH/c25-20(15-5-4-9-21-12-15)23-16-6-3-7-18(11-16)26-14-17-13-24-10-2-1-8-19(24)22-17;;/h1-3,6-8,10-11,13,15,21H,4-5,9,12,14H2,(H,23,25);2*1H
InChIKeyBZPBFTJXAOLQFE-UHFFFAOYSA-N
XLogP3.69
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride (CID 119875040) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)C1CCCNC1.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is BZPBFTJXAOLQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.2ClH/c25-20(15-5-4-9-21-12-15)23-16-6-3-7-18(11-16)26-14-17-13-24-10-2-1-8-19(24)22-17;;/h1-3,6-8,10-11,13,15,21H,4-5,9,12,14H2,(H,23,25);2*1H.
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride?
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 423.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119875040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).