[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

C17H21N3O — CID 94022564

IUPAC[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1
InChIInChI=1S/C17H21N3O/c1-14-3-2-9-20(11-14)17(21)16-6-4-15(5-7-16)12-19-10-8-18-13-19/h4-8,10,13-14H,2-3,9,11-12H2,1H3/t14-/m1/s1
InChIKeyMBMOFDVXKOBECT-CQSZACIVSA-N
MW283.38 g/mol
LogP2.80
Rot. Bonds3

About [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 94022564) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID94022564
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1
InChIInChI=1S/C17H21N3O/c1-14-3-2-9-20(11-14)17(21)16-6-4-15(5-7-16)12-19-10-8-18-13-19/h4-8,10,13-14H,2-3,9,11-12H2,1H3/t14-/m1/s1
InChIKeyMBMOFDVXKOBECT-CQSZACIVSA-N
XLogP2.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(4-fluorophenyl)azepan-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 99873260
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644530
[4-(imidazol-1-ylmethyl)phenyl]-[3-(prop-2-ynoxymethyl)piperidin-1-yl]methanone
CID 90505298
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46774905
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 122260177
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
(2R)-1-[4-(imidazol-1-ylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371177
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165004
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55719266
(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 86991463

Frequently Asked Questions

What is the IUPAC name of [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 94022564) is [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is C[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1.
What is the InChIKey of [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is MBMOFDVXKOBECT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-3-2-9-20(11-14)17(21)16-6-4-15(5-7-16)12-19-10-8-18-13-19/h4-8,10,13-14H,2-3,9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 283.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 94022564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).