1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C21H24N2O3 — CID 45168811

IUPAC1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)CCc2ccncc2)C1
InChIInChI=1S/C21H24N2O3/c1-26-19-7-3-2-6-18(19)21(25)17-5-4-14-23(15-17)20(24)9-8-16-10-12-22-13-11-16/h2-3,6-7,10-13,17H,4-5,8-9,14-15H2,1H3
InChIKeyNKGYHCCOBSSWDN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.14
Rot. Bonds6

About 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 45168811) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID45168811
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)CCc2ccncc2)C1
InChIInChI=1S/C21H24N2O3/c1-26-19-7-3-2-6-18(19)21(25)17-5-4-14-23(15-17)20(24)9-8-16-10-12-22-13-11-16/h2-3,6-7,10-13,17H,4-5,8-9,14-15H2,1H3
InChIKeyNKGYHCCOBSSWDN-UHFFFAOYSA-N
XLogP3.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 26325134
3-(1,3-benzothiazol-2-yl)-1-[(3R)-3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 42564843
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 42293000
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086
3-(4-methoxyphenyl)-1-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one
CID 45167786
3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 45227213
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 95726233
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 45168811) is 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is COc1ccccc1C(=O)C1CCCN(C(=O)CCc2ccncc2)C1.
What is the InChIKey of 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is NKGYHCCOBSSWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-7-3-2-6-18(19)21(25)17-5-4-14-23(15-17)20(24)9-8-16-10-12-22-13-11-16/h2-3,6-7,10-13,17H,4-5,8-9,14-15H2,1H3.
What are the key properties of 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 352.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 45168811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).