ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate

C22H37N3O5 — CID 71856807

IUPACethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(C)C(=O)C(CC(C)C)N2CCCCC2=O)CC1
InChIInChI=1S/C22H37N3O5/c1-5-30-22(29)17-9-12-24(13-10-17)20(27)15-23(4)21(28)18(14-16(2)3)25-11-7-6-8-19(25)26/h16-18H,5-15H2,1-4H3
InChIKeyRNPXFMQHNWVKAS-UHFFFAOYSA-N
MW423.55 g/mol
LogP1.67
Rot. Bonds8

About ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate (PubChem CID 71856807) has the molecular formula C22H37N3O5 and a molecular weight of 423.55 g/mol. Its IUPAC name is ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate
PubChem CID71856807
Molecular FormulaC22H37N3O5
Molecular Weight423.55 g/mol
Exact Mass423.27
IUPAC Nameethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(C)C(=O)C(CC(C)C)N2CCCCC2=O)CC1
InChIInChI=1S/C22H37N3O5/c1-5-30-22(29)17-9-12-24(13-10-17)20(27)15-23(4)21(28)18(14-16(2)3)25-11-7-6-8-19(25)26/h16-18H,5-15H2,1-4H3
InChIKeyRNPXFMQHNWVKAS-UHFFFAOYSA-N
XLogP1.67
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 119354643
1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one
CID 71972492
ethyl 1-[2-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]oxyacetyl]piperidine-4-carboxylate
CID 46789881
ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate
CID 56565158
ethyl 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-7-oxoazepane-4-carboxylate
CID 23545594
1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one
CID 97051473
(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 61164738
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119478575
ethyl 1-[N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)pentyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157605
ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate
CID 120635242

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate (CID 71856807) is ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C(CC(C)C)N2CCCCC2=O)CC1.
What is the InChIKey of ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate?
The InChIKey is RNPXFMQHNWVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O5/c1-5-30-22(29)17-9-12-24(13-10-17)20(27)15-23(4)21(28)18(14-16(2)3)25-11-7-6-8-19(25)26/h16-18H,5-15H2,1-4H3.
What are the key properties of ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate has a molecular weight of 423.55 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 71856807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).