[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone

C14H26N2O2 — CID 124683875

IUPAC[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2N)C1
InChIInChI=1S/C14H26N2O2/c1-2-18-10-11-5-4-8-16(9-11)14(17)12-6-3-7-13(12)15/h11-13H,2-10,15H2,1H3/t11-,12-,13+/m1/s1
InChIKeyXEFOJAJPPOJYQQ-UPJWGTAASA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds4

About [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone

[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone (PubChem CID 124683875) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
PubChem CID124683875
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2N)C1
InChIInChI=1S/C14H26N2O2/c1-2-18-10-11-5-4-8-16(9-11)14(17)12-6-3-7-13(12)15/h11-13H,2-10,15H2,1H3/t11-,12-,13+/m1/s1
InChIKeyXEFOJAJPPOJYQQ-UPJWGTAASA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone (CID 124683875) is [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone is CCOC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2N)C1.
What is the InChIKey of [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone?
The InChIKey is XEFOJAJPPOJYQQ-UPJWGTAASA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-18-10-11-5-4-8-16(9-11)14(17)12-6-3-7-13(12)15/h11-13H,2-10,15H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone?
[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124683875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).