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-[N-(tert-butoxycarbonyl)glycyl]piperidine-4-carboxylate
CID 665087
tert-butyl 4-[(2S)-1-[3-(cyclopropylmethoxy)propylamino]-1-oxopentan-2-yl]piperazine-1-carboxylate
CID 96521991
methyl 1-[4-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutyl]-2-(trifluoromethyl)piperidine-4-carboxylate
CID 146429203
Ethyl-2-((S)-3-((2S,3R)-2-amino-3-methylpentanamido)-2,6-dioxopiperidin-1-yl)acetate hydrochloride
CID 44481396
Ethyl 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylate
CID 60641219
Ethyl 1-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperidine-4-carboxylate
CID 78787343
Ethyl 1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidine-4-carboxylate
CID 84430409
Ethyl 1-[2-[(4,4-difluoropyrrolidine-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate;hydrochloride
CID 120954764
Ethyl 1-[2-[(4,4-difluoropyrrolidine-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate
CID 120954765
2-Methylpropyl [1-(cyclopropylcarbonyl)-3-oxopiperazin-2-yl]acetate
CID 16958170
Methyl 4-((2-(cyclopropylamino)-2-oxoacetamido)methyl)piperidine-1-carboxylate
CID 49682383
Ethyl 2-cyclopropyl-2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]acetate
CID 56804770

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).