2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone

C18H24N4O — CID 110102963

IUPAC2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone
SMILESCc1cc(CC2CCN(C(=O)Cn3ccnc3C)CC2)ccn1
InChIInChI=1S/C18H24N4O/c1-14-11-17(3-6-19-14)12-16-4-8-21(9-5-16)18(23)13-22-10-7-20-15(22)2/h3,6-7,10-11,16H,4-5,8-9,12-13H2,1-2H3
InChIKeyJDKWGLDTVNUYTC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.38
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone (PubChem CID 110102963) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone
PubChem CID110102963
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone
SMILESCc1cc(CC2CCN(C(=O)Cn3ccnc3C)CC2)ccn1
InChIInChI=1S/C18H24N4O/c1-14-11-17(3-6-19-14)12-16-4-8-21(9-5-16)18(23)13-22-10-7-20-15(22)2/h3,6-7,10-11,16H,4-5,8-9,12-13H2,1-2H3
InChIKeyJDKWGLDTVNUYTC-UHFFFAOYSA-N
XLogP2.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea
CID 68690135
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 90494621
1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560742
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
2-morpholin-4-yl-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102794
2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 110102930
1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone
CID 92589518
2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone
CID 25260631
2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 91834957

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone (CID 110102963) is 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone is Cc1cc(CC2CCN(C(=O)Cn3ccnc3C)CC2)ccn1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is JDKWGLDTVNUYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-11-17(3-6-19-14)12-16-4-8-21(9-5-16)18(23)13-22-10-7-20-15(22)2/h3,6-7,10-11,16H,4-5,8-9,12-13H2,1-2H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110102963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).