2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone

C16H27N3O2 — CID 97135370

IUPAC2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCCC[C@@H]1CCCOC
InChIInChI=1S/C16H27N3O2/c1-3-15-17-9-11-18(15)13-16(20)19-10-5-4-7-14(19)8-6-12-21-2/h9,11,14H,3-8,10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyNFOGTMQTHQEXOT-CQSZACIVSA-N
MW293.41 g/mol
LogP2.25
Rot. Bonds7

About 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone

2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone (PubChem CID 97135370) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone
PubChem CID97135370
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCCC[C@@H]1CCCOC
InChIInChI=1S/C16H27N3O2/c1-3-15-17-9-11-18(15)13-16(20)19-10-5-4-7-14(19)8-6-12-21-2/h9,11,14H,3-8,10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyNFOGTMQTHQEXOT-CQSZACIVSA-N
XLogP2.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone (CID 97135370) is 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone is CCc1nccn1CC(=O)N1CCCC[C@@H]1CCCOC.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone?
The InChIKey is NFOGTMQTHQEXOT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-15-17-9-11-18(15)13-16(20)19-10-5-4-7-14(19)8-6-12-21-2/h9,11,14H,3-8,10,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone?
2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone has a molecular weight of 293.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97135370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).