N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide

C21H33N3O3 — CID 138007230

IUPACN-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCCC(CC)CC(=O)N1CCCC(N(C)C(=O)Cn2ccc(C)cc2=O)C1
InChIInChI=1S/C21H33N3O3/c1-5-17(6-2)13-20(26)23-10-7-8-18(14-23)22(4)21(27)15-24-11-9-16(3)12-19(24)25/h9,11-12,17-18H,5-8,10,13-15H2,1-4H3
InChIKeyIBPCCRYZUDKMCE-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.43
Rot. Bonds7

About N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide

N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 138007230) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID138007230
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCCC(CC)CC(=O)N1CCCC(N(C)C(=O)Cn2ccc(C)cc2=O)C1
InChIInChI=1S/C21H33N3O3/c1-5-17(6-2)13-20(26)23-10-7-8-18(14-23)22(4)21(27)15-24-11-9-16(3)12-19(24)25/h9,11-12,17-18H,5-8,10,13-15H2,1-4H3
InChIKeyIBPCCRYZUDKMCE-UHFFFAOYSA-N
XLogP2.43
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
CID 126808828
1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one
CID 104751405
(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122116736
N-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 138007257
5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122117300
N-(4-aminophenyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62961589
N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
CID 63810760
1-[2-[(2R)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylpyridin-2-one
CID 124627796
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
CID 104753235
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46943399
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 55152553

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide (CID 138007230) is N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide is CCC(CC)CC(=O)N1CCCC(N(C)C(=O)Cn2ccc(C)cc2=O)C1.
What is the InChIKey of N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is IBPCCRYZUDKMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-5-17(6-2)13-20(26)23-10-7-8-18(14-23)22(4)21(27)15-24-11-9-16(3)12-19(24)25/h9,11-12,17-18H,5-8,10,13-15H2,1-4H3.
What are the key properties of N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 375.51 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylpentanoyl)piperidin-3-yl]-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 138007230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).