N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide

C21H25N3O5 — CID 47028211

IUPACN-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)Cn3ccccc3=O)CC2)c(OC)c1
InChIInChI=1S/C21H25N3O5/c1-28-16-6-7-17(18(13-16)29-2)21(27)23-11-8-15(9-12-23)22-19(25)14-24-10-4-3-5-20(24)26/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3,(H,22,25)
InChIKeyFSBSPBURNUBTKP-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.29
Rot. Bonds6

About N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide

N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 47028211) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID47028211
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)Cn3ccccc3=O)CC2)c(OC)c1
InChIInChI=1S/C21H25N3O5/c1-28-16-6-7-17(18(13-16)29-2)21(27)23-11-8-15(9-12-23)22-19(25)14-24-10-4-3-5-20(24)26/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3,(H,22,25)
InChIKeyFSBSPBURNUBTKP-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111699
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 90589371
(2,4-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999763
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
(2,4-dimethoxyphenyl)-[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]piperidin-1-yl]methanone
CID 22083140
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide (CID 47028211) is N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide is COc1ccc(C(=O)N2CCC(NC(=O)Cn3ccccc3=O)CC2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is FSBSPBURNUBTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-28-16-6-7-17(18(13-16)29-2)21(27)23-11-8-15(9-12-23)22-19(25)14-24-10-4-3-5-20(24)26/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 47028211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).