4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one

C29H34N2O2 — CID 22961065

IUPAC4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one
SMILESCC(CCN1CC=C(c2cccc3ccoc23)CC1)(C(=O)C1CCCCC1)c1ccccn1
InChIInChI=1S/C29H34N2O2/c1-29(26-12-5-6-17-30-26,28(32)24-8-3-2-4-9-24)16-20-31-18-13-22(14-19-31)25-11-7-10-23-15-21-33-27(23)25/h5-7,10-13,15,17,21,24H,2-4,8-9,14,16,18-20H2,1H3
InChIKeySERBRJQDJBSFKR-UHFFFAOYSA-N
MW442.60 g/mol
LogP6.41
Rot. Bonds7

About 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one

4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one (PubChem CID 22961065) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one
PubChem CID22961065
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one
SMILESCC(CCN1CC=C(c2cccc3ccoc23)CC1)(C(=O)C1CCCCC1)c1ccccn1
InChIInChI=1S/C29H34N2O2/c1-29(26-12-5-6-17-30-26,28(32)24-8-3-2-4-9-24)16-20-31-18-13-22(14-19-31)25-11-7-10-23-15-21-33-27(23)25/h5-7,10-13,15,17,21,24H,2-4,8-9,14,16,18-20H2,1H3
InChIKeySERBRJQDJBSFKR-UHFFFAOYSA-N
XLogP6.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one with MolForge

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Related Compounds

4-[4-(1-benzofuran-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutan-1-one
CID 23529270
4-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutan-1-one
CID 23529265
4-[5-(1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1,2-diphenylbutan-1-ol
CID 12018112
1-cyclohexyl-4-[4-(5-fluoro-1-benzofuran-7-yl)azepan-1-yl]-2-methyl-2-phenylbutan-1-one
CID 59915373
1-(1-acetylpiperidin-4-yl)-4-[4-(4-fluoro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridin-2-ylbutan-1-one;oxalic acid
CID 160655270
1-(4-cyclohexyl-3-pyridin-2-ylbutyl)-5-(4-fluoro-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepine
CID 59915410
(NE)-N-[4-[5-(1-benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutylidene]hydroxylamine
CID 59915415
1-(1-benzylpiperidin-4-yl)-4-[4-(4-fluoro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridin-2-ylbutan-1-one;oxalic acid
CID 162321923
4-[4-(1-benzothiophen-7-yl)-2,3,6,7-tetrahydroazepin-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutan-1-one
CID 12020269
4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-(1-benzylpiperidin-4-yl)-2-pyridin-2-ylbutan-1-one
CID 22961076
4-[4-(5-fluoro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,2-diphenylbutan-1-ol
CID 22961058
4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
CID 10632775

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one?
The IUPAC name of 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one (CID 22961065) is 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one?
The canonical SMILES for 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one is CC(CCN1CC=C(c2cccc3ccoc23)CC1)(C(=O)C1CCCCC1)c1ccccn1.
What is the InChIKey of 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one?
The InChIKey is SERBRJQDJBSFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-29(26-12-5-6-17-30-26,28(32)24-8-3-2-4-9-24)16-20-31-18-13-22(14-19-31)25-11-7-10-23-15-21-33-27(23)25/h5-7,10-13,15,17,21,24H,2-4,8-9,14,16,18-20H2,1H3.
What are the key properties of 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one?
4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one has a molecular weight of 442.60 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-methyl-2-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 22961065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).