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

C24H30N4O — CID 10810441

IUPAC3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C24H30N4O/c1-18-26-21-16-25-12-9-22(21)28(18)17-19-10-13-27(14-11-19)23(29)15-24(2,3)20-7-5-4-6-8-20/h4-9,12,16,19H,10-11,13-15,17H2,1-3H3
InChIKeyFJIQLBDGBFZIJM-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.35
Rot. Bonds5

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

3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 10810441) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID10810441
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C24H30N4O/c1-18-26-21-16-25-12-9-22(21)28(18)17-19-10-13-27(14-11-19)23(29)15-24(2,3)20-7-5-4-6-8-20/h4-9,12,16,19H,10-11,13-15,17H2,1-3H3
InChIKeyFJIQLBDGBFZIJM-UHFFFAOYSA-N
XLogP4.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (CID 10810441) is 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is Cc1nc2cnccc2n1CC1CCN(C(=O)CC(C)(C)c2ccccc2)CC1.
What is the InChIKey of 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is FJIQLBDGBFZIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-26-21-16-25-12-9-22(21)28(18)17-19-10-13-27(14-11-19)23(29)15-24(2,3)20-7-5-4-6-8-20/h4-9,12,16,19H,10-11,13-15,17H2,1-3H3.
What are the key properties of 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 390.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 10810441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).