5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide

C18H29N3O2 — CID 154779316

IUPAC5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide
SMILESCCc1c(C(=O)N2CCCC(CC)(CC)C2)[nH]c(C)c1C(N)=O
InChIInChI=1S/C18H29N3O2/c1-5-13-14(16(19)22)12(4)20-15(13)17(23)21-10-8-9-18(6-2,7-3)11-21/h20H,5-11H2,1-4H3,(H2,19,22)
InChIKeyQYNBVKIYWNWSPE-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.03
Rot. Bonds5

About 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide

5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 154779316) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID154779316
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide
SMILESCCc1c(C(=O)N2CCCC(CC)(CC)C2)[nH]c(C)c1C(N)=O
InChIInChI=1S/C18H29N3O2/c1-5-13-14(16(19)22)12(4)20-15(13)17(23)21-10-8-9-18(6-2,7-3)11-21/h20H,5-11H2,1-4H3,(H2,19,22)
InChIKeyQYNBVKIYWNWSPE-UHFFFAOYSA-N
XLogP3.03
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120819242
1-(3,3-diethylpiperidin-1-yl)ethanone
CID 89177702
1-[5-[(6S)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 99808117
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
1-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 120659774
1-[5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119485122
1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120804323
(3S,4S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952217
(2S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366078
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 103890618
1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 119663008
1-[4-ethyl-2-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120997022

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide (CID 154779316) is 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide is CCc1c(C(=O)N2CCCC(CC)(CC)C2)[nH]c(C)c1C(N)=O.
What is the InChIKey of 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is QYNBVKIYWNWSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-13-14(16(19)22)12(4)20-15(13)17(23)21-10-8-9-18(6-2,7-3)11-21/h20H,5-11H2,1-4H3,(H2,19,22).
What are the key properties of 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide?
5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 154779316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).