1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

C24H26N2O3 — CID 56741654

IUPAC1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CCCN(C(=O)c2ccc(-c3cc4ccccc4o3)nc2)C1
InChIInChI=1S/C24H26N2O3/c1-16(2)12-21(27)19-7-5-11-26(15-19)24(28)18-9-10-20(25-14-18)23-13-17-6-3-4-8-22(17)29-23/h3-4,6,8-10,13-14,16,19H,5,7,11-12,15H2,1-2H3
InChIKeyLMECVLYJUBBLSD-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.96
Rot. Bonds5

About 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (PubChem CID 56741654) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
PubChem CID56741654
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CCCN(C(=O)c2ccc(-c3cc4ccccc4o3)nc2)C1
InChIInChI=1S/C24H26N2O3/c1-16(2)12-21(27)19-7-5-11-26(15-19)24(28)18-9-10-20(25-14-18)23-13-17-6-3-4-8-22(17)29-23/h3-4,6,8-10,13-14,16,19H,5,7,11-12,15H2,1-2H3
InChIKeyLMECVLYJUBBLSD-UHFFFAOYSA-N
XLogP4.96
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[6-(2-fluorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738190
1-[1-[6-[2-(hydroxymethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56751009
1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56759520
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
1-[(3R)-1-[6-(1,3-benzodioxol-5-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95219285
1-[(3S)-1-[6-(1H-indol-6-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95228280
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95486329
1-[(3R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 136713648
1-[(3S)-1-[6-(4-hydroxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95211661
3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56753563
1-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (CID 56741654) is 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is CC(C)CC(=O)C1CCCN(C(=O)c2ccc(-c3cc4ccccc4o3)nc2)C1.
What is the InChIKey of 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The InChIKey is LMECVLYJUBBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16(2)12-21(27)19-7-5-11-26(15-19)24(28)18-9-10-20(25-14-18)23-13-17-6-3-4-8-22(17)29-23/h3-4,6,8-10,13-14,16,19H,5,7,11-12,15H2,1-2H3.
What are the key properties of 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one has a molecular weight of 390.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 56741654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).