1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone

C21H23N3O — CID 110104199

IUPAC1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
SMILESCc1cnc(C2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH]1
InChIInChI=1S/C21H23N3O/c1-15-13-22-21(23-15)19-7-4-10-24(14-19)20(25)12-16-8-9-17-5-2-3-6-18(17)11-16/h2-3,5-6,8-9,11,13,19H,4,7,10,12,14H2,1H3,(H,22,23)
InChIKeyAYBVVROLCJCOQW-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.82
Rot. Bonds3

About 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone

1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone (PubChem CID 110104199) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
PubChem CID110104199
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
SMILESCc1cnc(C2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH]1
InChIInChI=1S/C21H23N3O/c1-15-13-22-21(23-15)19-7-4-10-24(14-19)20(25)12-16-8-9-17-5-2-3-6-18(17)11-16/h2-3,5-6,8-9,11,13,19H,4,7,10,12,14H2,1H3,(H,22,23)
InChIKeyAYBVVROLCJCOQW-UHFFFAOYSA-N
XLogP3.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103996
2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124998243
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 124995684
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124998813
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110104195
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539
1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110104109
1-[3-(bromomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 80659130

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone (CID 110104199) is 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone is Cc1cnc(C2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)[nH]1.
What is the InChIKey of 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The InChIKey is AYBVVROLCJCOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-13-22-21(23-15)19-7-4-10-24(14-19)20(25)12-16-8-9-17-5-2-3-6-18(17)11-16/h2-3,5-6,8-9,11,13,19H,4,7,10,12,14H2,1H3,(H,22,23).
What are the key properties of 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone has a molecular weight of 333.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 110104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).