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

C25H32N4O — CID 11795533

IUPAC1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one
SMILESCCCC(CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C25H32N4O/c1-3-7-22(21-8-5-4-6-9-21)16-25(30)28-14-11-20(12-15-28)18-29-19(2)27-23-17-26-13-10-24(23)29/h4-6,8-10,13,17,20,22H,3,7,11-12,14-16,18H2,1-2H3
InChIKeyQHVFFMKWJFTXAY-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.95
Rot. Bonds7

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

1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one (PubChem CID 11795533) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one.

Molecular Properties

Compound Name1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one
PubChem CID11795533
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one
SMILESCCCC(CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C25H32N4O/c1-3-7-22(21-8-5-4-6-9-21)16-25(30)28-14-11-20(12-15-28)18-29-19(2)27-23-17-26-13-10-24(23)29/h4-6,8-10,13,17,20,22H,3,7,11-12,14-16,18H2,1-2H3
InChIKeyQHVFFMKWJFTXAY-UHFFFAOYSA-N
XLogP4.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.95
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-phenylhexan-1-one?
The IUPAC name of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one (CID 11795533) is 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one.
What is the SMILES notation for 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one?
The canonical SMILES for 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one is CCCC(CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one?
The InChIKey is QHVFFMKWJFTXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-7-22(21-8-5-4-6-9-21)16-25(30)28-14-11-20(12-15-28)18-29-19(2)27-23-17-26-13-10-24(23)29/h4-6,8-10,13,17,20,22H,3,7,11-12,14-16,18H2,1-2H3.
What are the key properties of 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one?
1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one has a molecular weight of 404.56 g/mol, XLogP of 4.95, 7 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-phenylhexan-1-one is sourced from PubChem (CID 11795533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).