ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate

C20H33N3O5 — CID 71959944

IUPACethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate
SMILESCCOC(=O)CCC(=O)N[C@@H](C)C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H33N3O5/c1-3-28-18(25)8-7-17(24)21-15(2)19(26)23-13-9-16(10-14-23)20(27)22-11-5-4-6-12-22/h15-16H,3-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyPHOITYHBFYQKQR-HNNXBMFYSA-N
MW395.50 g/mol
LogP1.09
Rot. Bonds7

About ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate

ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate (PubChem CID 71959944) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate
PubChem CID71959944
Molecular FormulaC20H33N3O5
Molecular Weight395.50 g/mol
Exact Mass395.24
IUPAC Nameethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate
SMILESCCOC(=O)CCC(=O)N[C@@H](C)C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H33N3O5/c1-3-28-18(25)8-7-17(24)21-15(2)19(26)23-13-9-16(10-14-23)20(27)22-11-5-4-6-12-22/h15-16H,3-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyPHOITYHBFYQKQR-HNNXBMFYSA-N
XLogP1.09
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate with MolForge

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Related Compounds

Ethyl 1-{2-[4-(ethoxycarbonyl)piperidyl]-2-oxoacetyl}piperidine-4-carboxylate
CID 3620478
2-(1-isobutyl-3-oxopiperazin-2-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16190692
Ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 656194
Ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate
CID 2997384
Ethyl 4-({[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}amino)-1-piperidinecarboxylate
CID 45178351
3-{2-[4-(Methoxymethyl)-1-piperidinyl]-2-oxoethyl}-4-(3-methylbutyl)-2-piperazinone
CID 45239437
Ethyl 4-(((1-isopropylpiperidin-4-yl)methyl)amino)-4-oxobutanoate
CID 45558420
Methyl 1-{[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]acetyl}-4-piperidinecarboxylate
CID 45597431
Methyl 2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 45851511
methyl 1-[1-[(2S,3R)-2-amino-3-methylpentanoyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1794689
Butyl 2-[3-(2-methylpropyl)-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecan-9-yl]acetate
CID 21926007
Propyl 3-(2-methylpropyl)-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 21926046

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate (CID 71959944) is ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate is CCOC(=O)CCC(=O)N[C@@H](C)C(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate?
The InChIKey is PHOITYHBFYQKQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H33N3O5/c1-3-28-18(25)8-7-17(24)21-15(2)19(26)23-13-9-16(10-14-23)20(27)22-11-5-4-6-12-22/h15-16H,3-14H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate?
ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate has a molecular weight of 395.50 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate is sourced from PubChem (CID 71959944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).