4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile

C26H24N2O3 — CID 24732831

IUPAC4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
SMILESCOc1cccc(C(=O)N2CCC(Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)c1
InChIInChI=1S/C26H24N2O3/c1-30-25-4-2-3-22(17-25)26(29)28-15-13-24(14-16-28)31-23-11-9-21(10-12-23)20-7-5-19(18-27)6-8-20/h2-12,17,24H,13-16H2,1H3
InChIKeyDOBLVZWZELNRDD-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.92
Rot. Bonds5

About 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile

4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile (PubChem CID 24732831) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
PubChem CID24732831
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
SMILESCOc1cccc(C(=O)N2CCC(Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)c1
InChIInChI=1S/C26H24N2O3/c1-30-25-4-2-3-22(17-25)26(29)28-15-13-24(14-16-28)31-23-11-9-21(10-12-23)20-7-5-19(18-27)6-8-20/h2-12,17,24H,13-16H2,1H3
InChIKeyDOBLVZWZELNRDD-UHFFFAOYSA-N
XLogP4.92
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629010
4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile
CID 127281932
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]benzonitrile
CID 71809004
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
N-[4-(4-cyanophenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710218

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile?
The IUPAC name of 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile (CID 24732831) is 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile.
What is the SMILES notation for 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile?
The canonical SMILES for 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile is COc1cccc(C(=O)N2CCC(Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)c1.
What is the InChIKey of 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile?
The InChIKey is DOBLVZWZELNRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-30-25-4-2-3-22(17-25)26(29)28-15-13-24(14-16-28)31-23-11-9-21(10-12-23)20-7-5-19(18-27)6-8-20/h2-12,17,24H,13-16H2,1H3.
What are the key properties of 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile?
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile has a molecular weight of 412.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile is sourced from PubChem (CID 24732831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).