(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone

C20H24N2O2 — CID 136524982

IUPAC(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(C)c3ccncc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(16-7-11-21-12-8-16)22-13-9-18(10-14-22)20(23)17-3-5-19(24-2)6-4-17/h3-8,11-12,15,18H,9-10,13-14H2,1-2H3
InChIKeyKTDAMRLSNCNGJV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.75
Rot. Bonds5

About (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone (PubChem CID 136524982) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
PubChem CID136524982
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(C)c3ccncc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(16-7-11-21-12-8-16)22-13-9-18(10-14-22)20(23)17-3-5-19(24-2)6-4-17/h3-8,11-12,15,18H,9-10,13-14H2,1-2H3
InChIKeyKTDAMRLSNCNGJV-UHFFFAOYSA-N
XLogP3.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone
CID 21306908
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 146134846
N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide
CID 55501519
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
CID 174877965
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
4-[4-[1-(4-methoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771200
(4-methoxyphenyl)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone (CID 136524982) is (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(C)c3ccncc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone?
The InChIKey is KTDAMRLSNCNGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(16-7-11-21-12-8-16)22-13-9-18(10-14-22)20(23)17-3-5-19(24-2)6-4-17/h3-8,11-12,15,18H,9-10,13-14H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 136524982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).