ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate

C15H28N2O3 — CID 79654989

IUPACethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CCC(OCC)CC2)C1
InChIInChI=1S/C15H28N2O3/c1-3-19-13-6-9-17(10-7-13)12-5-8-15(16,11-12)14(18)20-4-2/h12-13H,3-11,16H2,1-2H3
InChIKeyFAJVFIQAXRFIFL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.30
Rot. Bonds5

About ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate

ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 79654989) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID79654989
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CCC(OCC)CC2)C1
InChIInChI=1S/C15H28N2O3/c1-3-19-13-6-9-17(10-7-13)12-5-8-15(16,11-12)14(18)20-4-2/h12-13H,3-11,16H2,1-2H3
InChIKeyFAJVFIQAXRFIFL-UHFFFAOYSA-N
XLogP1.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-3-(4-tert-butylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647883
ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651264
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486
ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 102966438
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79650764
ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 107394788
methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651204
ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
CID 79650847
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394
ethyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxylate
CID 79647422

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate (CID 79654989) is ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N2CCC(OCC)CC2)C1.
What is the InChIKey of ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is FAJVFIQAXRFIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-19-13-6-9-17(10-7-13)12-5-8-15(16,11-12)14(18)20-4-2/h12-13H,3-11,16H2,1-2H3.
What are the key properties of ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79654989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).