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

C20H28N4O2 — CID 97202742

IUPAC[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1
InChIInChI=1S/C20H28N4O2/c1-22(2)12-13-23-11-9-21-19(23)17-7-5-10-24(15-17)20(25)16-6-4-8-18(14-16)26-3/h4,6,8-9,11,14,17H,5,7,10,12-13,15H2,1-3H3/t17-/m1/s1
InChIKeyQDWMBLYAHBCUAC-QGZVFWFLSA-N
MW356.47 g/mol
LogP2.47
Rot. Bonds6

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

[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 97202742) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID97202742
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1
InChIInChI=1S/C20H28N4O2/c1-22(2)12-13-23-11-9-21-19(23)17-7-5-10-24(15-17)20(25)16-6-4-8-18(14-16)26-3/h4,6,8-9,11,14,17H,5,7,10,12-13,15H2,1-3H3/t17-/m1/s1
InChIKeyQDWMBLYAHBCUAC-QGZVFWFLSA-N
XLogP2.47
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-ethoxyphenyl)methanone
CID 72906810
[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-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 97268476
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 97196493
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373
1-[5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 72842343
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
CID 97193180
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 97187446

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 97202742) is [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1.
What is the InChIKey of [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is QDWMBLYAHBCUAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22(2)12-13-23-11-9-21-19(23)17-7-5-10-24(15-17)20(25)16-6-4-8-18(14-16)26-3/h4,6,8-9,11,14,17H,5,7,10,12-13,15H2,1-3H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 356.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 97202742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).