ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate

C17H28N2O4 — CID 42698668

IUPACethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate
SMILESCCCC(NC(=O)C1CC1)C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C17H28N2O4/c1-3-5-14(18-15(20)12-6-7-12)16(21)19-10-8-13(9-11-19)17(22)23-4-2/h12-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyLYPJDROONXSOHZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.48
Rot. Bonds7

About ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate

ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate (PubChem CID 42698668) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate
PubChem CID42698668
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nameethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate
SMILESCCCC(NC(=O)C1CC1)C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C17H28N2O4/c1-3-5-14(18-15(20)12-6-7-12)16(21)19-10-8-13(9-11-19)17(22)23-4-2/h12-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyLYPJDROONXSOHZ-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]pentanoyl]piperidine-4-carboxylate
CID 42698498
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
(2S)-2-(cyclopropanecarbonylamino)-5-ethoxy-5-oxopentanoic acid
CID 107039185
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
ethyl 1-(propanoylcarbamothioyl)piperidine-4-carboxylate
CID 91687186
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate (CID 42698668) is ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate is CCCC(NC(=O)C1CC1)C(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate?
The InChIKey is LYPJDROONXSOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-3-5-14(18-15(20)12-6-7-12)16(21)19-10-8-13(9-11-19)17(22)23-4-2/h12-14H,3-11H2,1-2H3,(H,18,20).
What are the key properties of ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate?
ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cyclopropanecarbonylamino)pentanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 42698668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).