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

C23H28N4O — CID 10523594

IUPAC1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-17(20-6-4-3-5-7-20)14-23(28)26-12-9-19(10-13-26)16-27-18(2)25-21-15-24-11-8-22(21)27/h3-8,11,15,17,19H,9-10,12-14,16H2,1-2H3
InChIKeySYYCMHDHRQGFOI-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.17
Rot. Bonds5

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

1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 10523594) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID10523594
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-17(20-6-4-3-5-7-20)14-23(28)26-12-9-19(10-13-26)16-27-18(2)25-21-15-24-11-8-22(21)27/h3-8,11,15,17,19H,9-10,12-14,16H2,1-2H3
InChIKeySYYCMHDHRQGFOI-UHFFFAOYSA-N
XLogP4.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (CID 10523594) is 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is Cc1nc2cnccc2n1CC1CCN(C(=O)CC(C)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is SYYCMHDHRQGFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17(20-6-4-3-5-7-20)14-23(28)26-12-9-19(10-13-26)16-27-18(2)25-21-15-24-11-8-22(21)27/h3-8,11,15,17,19H,9-10,12-14,16H2,1-2H3.
What are the key properties of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 376.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 10523594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).