ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate

C15H28N2O3 — CID 102966438

IUPACethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C15H28N2O3/c1-4-20-14(18)15(16)7-5-12(9-15)17-8-6-11(2)13(10-17)19-3/h11-13H,4-10,16H2,1-3H3
InChIKeyJXKDMZVNDWXEGN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.16
Rot. Bonds4

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

ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 102966438) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID102966438
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C15H28N2O3/c1-4-20-14(18)15(16)7-5-12(9-15)17-8-6-11(2)13(10-17)19-3/h11-13H,4-10,16H2,1-3H3
InChIKeyJXKDMZVNDWXEGN-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate (CID 102966438) is ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N2CCC(C)C(OC)C2)C1.
What is the InChIKey of ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is JXKDMZVNDWXEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-20-14(18)15(16)7-5-12(9-15)17-8-6-11(2)13(10-17)19-3/h11-13H,4-10,16H2,1-3H3.
What are the key properties of ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 102966438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).