(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone

C16H19N3O — CID 47159866

IUPAC(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H19N3O/c1-13-4-2-3-10-19(13)16(20)14-5-7-15(8-6-14)18-11-9-17-12-18/h5-9,11-13H,2-4,10H2,1H3
InChIKeyLJPDYQSUKHLAQG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.89
Rot. Bonds2

About (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone

(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 47159866) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID47159866
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H19N3O/c1-13-4-2-3-10-19(13)16(20)14-5-7-15(8-6-14)18-11-9-17-12-18/h5-9,11-13H,2-4,10H2,1H3
InChIKeyLJPDYQSUKHLAQG-UHFFFAOYSA-N
XLogP2.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 129430226
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650241
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride
CID 120571831
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 46419890
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone (CID 47159866) is (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is LJPDYQSUKHLAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-4-2-3-10-19(13)16(20)14-5-7-15(8-6-14)18-11-9-17-12-18/h5-9,11-13H,2-4,10H2,1H3.
What are the key properties of (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone?
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 47159866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).