1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one

C16H17N3O2 — CID 61071787

IUPAC1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C16H17N3O2/c20-14-6-9-18(10-7-14)15(21)12-19-11-8-17-16(19)13-4-2-1-3-5-13/h1-5,8,11H,6-7,9-10,12H2
InChIKeyOUMRMTOJNMQQQL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.74
Rot. Bonds3

About 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one

1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one (PubChem CID 61071787) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
PubChem CID61071787
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C16H17N3O2/c20-14-6-9-18(10-7-14)15(21)12-19-11-8-17-16(19)13-4-2-1-3-5-13/h1-5,8,11H,6-7,9-10,12H2
InChIKeyOUMRMTOJNMQQQL-UHFFFAOYSA-N
XLogP1.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
(3S,4R)-4-phenyl-1-[2-(2-phenylimidazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 70762017
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
CID 72925608
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560742
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
4-chloro-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 90560596
2-(2-phenylimidazol-1-yl)ethanethioamide
CID 61069936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one (CID 61071787) is 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one is O=C1CCN(C(=O)Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one?
The InChIKey is OUMRMTOJNMQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-14-6-9-18(10-7-14)15(21)12-19-11-8-17-16(19)13-4-2-1-3-5-13/h1-5,8,11H,6-7,9-10,12H2.
What are the key properties of 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one?
1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 61071787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).