[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone

C13H22N4O2 — CID 107497963

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cn(CCN)cn2)C1
InChIInChI=1S/C13H22N4O2/c1-2-19-11-4-3-6-17(8-11)13(18)12-9-16(7-5-14)10-15-12/h9-11H,2-8,14H2,1H3
InChIKeyLGHSILOSRNFSBE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.48
Rot. Bonds5

About [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 107497963) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
PubChem CID107497963
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cn(CCN)cn2)C1
InChIInChI=1S/C13H22N4O2/c1-2-19-11-4-3-6-17(8-11)13(18)12-9-16(7-5-14)10-15-12/h9-11H,2-8,14H2,1H3
InChIKeyLGHSILOSRNFSBE-UHFFFAOYSA-N
XLogP0.48
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 107498501
[1-(2-aminoethyl)imidazol-4-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107499858
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107499557
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
methyl 1-[1-(2-aminoethyl)imidazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 107496963
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
[1-(2-aminoethyl)imidazol-4-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172299
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
CID 62954015
2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290626
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 107498657
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone (CID 107497963) is [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2cn(CCN)cn2)C1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is LGHSILOSRNFSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-19-11-4-3-6-17(8-11)13(18)12-9-16(7-5-14)10-15-12/h9-11H,2-8,14H2,1H3.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 107497963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).