1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide

C18H29N3O3 — CID 9443236

IUPAC1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCOC[C@H](C)n1c(C)cc(C(=O)CN2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C18H29N3O3/c1-12-9-16(14(3)21(12)13(2)11-24-4)17(22)10-20-7-5-15(6-8-20)18(19)23/h9,13,15H,5-8,10-11H2,1-4H3,(H2,19,23)/t13-/m0/s1
InChIKeySZQFGZSEDAFZCE-ZDUSSCGKSA-N
MW335.45 g/mol
LogP1.69
Rot. Bonds7

About 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 9443236) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID9443236
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCOC[C@H](C)n1c(C)cc(C(=O)CN2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C18H29N3O3/c1-12-9-16(14(3)21(12)13(2)11-24-4)17(22)10-20-7-5-15(6-8-20)18(19)23/h9,13,15H,5-8,10-11H2,1-4H3,(H2,19,23)/t13-/m0/s1
InChIKeySZQFGZSEDAFZCE-ZDUSSCGKSA-N
XLogP1.69
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 100910238
2-(azepan-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654057
1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
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1-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
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[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558601
1-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626947
3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4813100
[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766210
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 7600490
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 9442872
(5S,6S)-3-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7024092
1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone
CID 8616030

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 9443236) is 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide is COC[C@H](C)n1c(C)cc(C(=O)CN2CCC(C(N)=O)CC2)c1C.
What is the InChIKey of 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is SZQFGZSEDAFZCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12-9-16(14(3)21(12)13(2)11-24-4)17(22)10-20-7-5-15(6-8-20)18(19)23/h9,13,15H,5-8,10-11H2,1-4H3,(H2,19,23)/t13-/m0/s1.
What are the key properties of 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 9443236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).