[1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone

C14H26N2O2 — CID 55037906

IUPAC[1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2(CN)CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-2-18-12-6-5-9-16(10-12)13(17)14(11-15)7-3-4-8-14/h12H,2-11,15H2,1H3
InChIKeyQTSANARVFDISQL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds4

About [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone

[1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 55037906) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone
PubChem CID55037906
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2(CN)CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-2-18-12-6-5-9-16(10-12)13(17)14(11-15)7-3-4-8-14/h12H,2-11,15H2,1H3
InChIKeyQTSANARVFDISQL-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone (CID 55037906) is [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)C2(CN)CCCC2)C1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is QTSANARVFDISQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-18-12-6-5-9-16(10-12)13(17)14(11-15)7-3-4-8-14/h12H,2-11,15H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone?
[1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 55037906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).