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

C23H28N4O2 — CID 10620542

IUPAC3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-17-25-20-15-24-11-8-21(20)27(17)16-18-9-12-26(13-10-18)22(28)14-23(2,29)19-6-4-3-5-7-19/h3-8,11,15,18,29H,9-10,12-14,16H2,1-2H3
InChIKeyNTAFSRCMWKOOOT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.28
Rot. Bonds5

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

3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 10620542) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID10620542
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-17-25-20-15-24-11-8-21(20)27(17)16-18-9-12-26(13-10-18)22(28)14-23(2,29)19-6-4-3-5-7-19/h3-8,11,15,18,29H,9-10,12-14,16H2,1-2H3
InChIKeyNTAFSRCMWKOOOT-UHFFFAOYSA-N
XLogP3.28
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (CID 10620542) is 3-hydroxy-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-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is Cc1nc2cnccc2n1CC1CCN(C(=O)CC(C)(O)c2ccccc2)CC1.
What is the InChIKey of 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is NTAFSRCMWKOOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-25-20-15-24-11-8-21(20)27(17)16-18-9-12-26(13-10-18)22(28)14-23(2,29)19-6-4-3-5-7-19/h3-8,11,15,18,29H,9-10,12-14,16H2,1-2H3.
What are the key properties of 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 392.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 10620542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).