2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C19H22N6O — CID 97142143

IUPAC2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1ccnc1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C19H22N6O/c26-18(14-23-10-7-20-15-23)24-9-3-4-16(12-24)19-22-8-11-25(19)13-17-5-1-2-6-21-17/h1-2,5-8,10-11,15-16H,3-4,9,12-14H2/t16-/m1/s1
InChIKeyDQUGCLRKSFVRPH-MRXNPFEDSA-N
MW350.43 g/mol
LogP1.93
Rot. Bonds5

About 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97142143) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID97142143
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1ccnc1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C19H22N6O/c26-18(14-23-10-7-20-15-23)24-9-3-4-16(12-24)19-22-8-11-25(19)13-17-5-1-2-6-21-17/h1-2,5-8,10-11,15-16H,3-4,9,12-14H2/t16-/m1/s1
InChIKeyDQUGCLRKSFVRPH-MRXNPFEDSA-N
XLogP1.93
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97273855
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97269025
morpholin-4-yl-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97155138
1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 97270600
(1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97150810
5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 72908366
N-[2-methyl-1-oxo-1-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide
CID 72871557
5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 72849233
(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72909128
4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97155832
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
(5-methyl-1,2-oxazol-3-yl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72899366

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97142143) is 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is O=C(Cn1ccnc1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1.
What is the InChIKey of 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is DQUGCLRKSFVRPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N6O/c26-18(14-23-10-7-20-15-23)24-9-3-4-16(12-24)19-22-8-11-25(19)13-17-5-1-2-6-21-17/h1-2,5-8,10-11,15-16H,3-4,9,12-14H2/t16-/m1/s1.
What are the key properties of 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 350.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97142143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).