3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one

C23H28N4O2 — CID 10739279

IUPAC3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1
InChIInChI=1S/C23H28N4O2/c1-17-25-20-15-24-12-9-21(20)27(17)16-18-10-13-26(14-11-18)23(28)8-7-19-5-3-4-6-22(19)29-2/h3-6,9,12,15,18H,7-8,10-11,13-14,16H2,1-2H3
InChIKeyLHPQNDQSCKNLAA-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.62
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one

3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 10739279) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID10739279
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1
InChIInChI=1S/C23H28N4O2/c1-17-25-20-15-24-12-9-21(20)27(17)16-18-10-13-26(14-11-18)23(28)8-7-19-5-3-4-6-22(19)29-2/h3-6,9,12,15,18H,7-8,10-11,13-14,16H2,1-2H3
InChIKeyLHPQNDQSCKNLAA-UHFFFAOYSA-N
XLogP3.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 10739279) is 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one is COc1ccccc1CCC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is LHPQNDQSCKNLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-25-20-15-24-12-9-21(20)27(17)16-18-10-13-26(14-11-18)23(28)8-7-19-5-3-4-6-22(19)29-2/h3-6,9,12,15,18H,7-8,10-11,13-14,16H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 392.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 10739279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).