N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide

C21H31N3O2 — CID 91843819

IUPACN-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCCc1ccc(NC(=O)CCN2CCCC(CN3CCCC3=O)C2)cc1
InChIInChI=1S/C21H31N3O2/c1-2-17-7-9-19(10-8-17)22-20(25)11-14-23-12-3-5-18(15-23)16-24-13-4-6-21(24)26/h7-10,18H,2-6,11-16H2,1H3,(H,22,25)
InChIKeyMMMNEXJVVMCCJL-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.91
Rot. Bonds7

About N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide

N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide (PubChem CID 91843819) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
PubChem CID91843819
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCCc1ccc(NC(=O)CCN2CCCC(CN3CCCC3=O)C2)cc1
InChIInChI=1S/C21H31N3O2/c1-2-17-7-9-19(10-8-17)22-20(25)11-14-23-12-3-5-18(15-23)16-24-13-4-6-21(24)26/h7-10,18H,2-6,11-16H2,1H3,(H,22,25)
InChIKeyMMMNEXJVVMCCJL-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 124755525
N-(2-methoxyphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 91832840
N-(2-chloro-4,6-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 124750444
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 125002978
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
N-(4-acetylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919130
N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857805
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 102985639

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide (CID 91843819) is N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide is CCc1ccc(NC(=O)CCN2CCCC(CN3CCCC3=O)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
The InChIKey is MMMNEXJVVMCCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-17-7-9-19(10-8-17)22-20(25)11-14-23-12-3-5-18(15-23)16-24-13-4-6-21(24)26/h7-10,18H,2-6,11-16H2,1H3,(H,22,25).
What are the key properties of N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide?
N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide has a molecular weight of 357.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 91843819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).