[1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

C18H23N3O — CID 95051534

IUPAC[1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1ccc(Cn2ccnc2C(=O)N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C18H23N3O/c1-14-5-7-16(8-6-14)13-20-11-9-19-17(20)18(22)21-10-3-4-15(2)12-21/h5-9,11,15H,3-4,10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyFNJSULDCKHHKID-OAHLLOKOSA-N
MW297.40 g/mol
LogP3.11
Rot. Bonds3

About [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

[1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 95051534) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID95051534
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1ccc(Cn2ccnc2C(=O)N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C18H23N3O/c1-14-5-7-16(8-6-14)13-20-11-9-19-17(20)18(22)21-10-3-4-15(2)12-21/h5-9,11,15H,3-4,10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyFNJSULDCKHHKID-OAHLLOKOSA-N
XLogP3.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46774905
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076271
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518107
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917353
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 95051534) is [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is Cc1ccc(Cn2ccnc2C(=O)N2CCC[C@@H](C)C2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is FNJSULDCKHHKID-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-5-7-16(8-6-14)13-20-11-9-19-17(20)18(22)21-10-3-4-15(2)12-21/h5-9,11,15H,3-4,10,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]imidazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95051534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).