ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate

C20H36N4O4 — CID 55541752

IUPACethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate
SMILESCCCNC(=O)CN1CCN(C(C)C(=O)N2CCCC(C(=O)OCC)C2)CC1
InChIInChI=1S/C20H36N4O4/c1-4-8-21-18(25)15-22-10-12-23(13-11-22)16(3)19(26)24-9-6-7-17(14-24)20(27)28-5-2/h16-17H,4-15H2,1-3H3,(H,21,25)
InChIKeyUIFSTYKTBFWSQF-UHFFFAOYSA-N
MW396.53 g/mol
LogP0.32
Rot. Bonds8

About ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate

ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate (PubChem CID 55541752) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate
PubChem CID55541752
Molecular FormulaC20H36N4O4
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC Nameethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate
SMILESCCCNC(=O)CN1CCN(C(C)C(=O)N2CCCC(C(=O)OCC)C2)CC1
InChIInChI=1S/C20H36N4O4/c1-4-8-21-18(25)15-22-10-12-23(13-11-22)16(3)19(26)24-9-6-7-17(14-24)20(27)28-5-2/h16-17H,4-15H2,1-3H3,(H,21,25)
InChIKeyUIFSTYKTBFWSQF-UHFFFAOYSA-N
XLogP0.32
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[4-(3-methoxypropylcarbamoyl)piperidin-1-yl]propanoyl]piperidine-3-carboxylate
CID 55988872
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55409239
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
ethyl 1-[N-ethyl-N'-[2-oxo-2-(propylamino)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994574
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 134045373
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate (CID 55541752) is ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate is CCCNC(=O)CN1CCN(C(C)C(=O)N2CCCC(C(=O)OCC)C2)CC1.
What is the InChIKey of ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate?
The InChIKey is UIFSTYKTBFWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O4/c1-4-8-21-18(25)15-22-10-12-23(13-11-22)16(3)19(26)24-9-6-7-17(14-24)20(27)28-5-2/h16-17H,4-15H2,1-3H3,(H,21,25).
What are the key properties of ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate?
ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate has a molecular weight of 396.53 g/mol, XLogP of 0.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 55541752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).