[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone

C18H26N4O3 — CID 97196493

IUPAC[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)o1
InChIInChI=1S/C18H26N4O3/c1-20(2)11-12-21-10-8-19-17(21)14-5-4-9-22(13-14)18(23)15-6-7-16(24-3)25-15/h6-8,10,14H,4-5,9,11-13H2,1-3H3/t14-/m1/s1
InChIKeyYMKDQGYBCCLTNP-CQSZACIVSA-N
MW346.43 g/mol
LogP2.07
Rot. Bonds6

About [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone

[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone (PubChem CID 97196493) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
PubChem CID97196493
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)o1
InChIInChI=1S/C18H26N4O3/c1-20(2)11-12-21-10-8-19-17(21)14-5-4-9-22(13-14)18(23)15-6-7-16(24-3)25-15/h6-8,10,14H,4-5,9,11-13H2,1-3H3/t14-/m1/s1
InChIKeyYMKDQGYBCCLTNP-CQSZACIVSA-N
XLogP2.07
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 72937065
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 72867995
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72850501
[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72884432
1-[5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 72842343
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 97277772
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 97268476
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97283595

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The IUPAC name of [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone (CID 97196493) is [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The canonical SMILES for [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone is COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)o1.
What is the InChIKey of [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The InChIKey is YMKDQGYBCCLTNP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-20(2)11-12-21-10-8-19-17(21)14-5-4-9-22(13-14)18(23)15-6-7-16(24-3)25-15/h6-8,10,14H,4-5,9,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone is sourced from PubChem (CID 97196493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).