(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

C17H28N4O — CID 119035642

IUPAC(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CCN(CC2CCCN(C(=O)c3cncn3C)C2)CC1
InChIInChI=1S/C17H28N4O/c1-14-5-8-20(9-6-14)11-15-4-3-7-21(12-15)17(22)16-10-18-13-19(16)2/h10,13-15H,3-9,11-12H2,1-2H3
InChIKeyYKVKYLVGWSIPJO-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.00
Rot. Bonds3

About (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 119035642) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID119035642
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CCN(CC2CCCN(C(=O)c3cncn3C)C2)CC1
InChIInChI=1S/C17H28N4O/c1-14-5-8-20(9-6-14)11-15-4-3-7-21(12-15)17(22)16-10-18-13-19(16)2/h10,13-15H,3-9,11-12H2,1-2H3
InChIKeyYKVKYLVGWSIPJO-UHFFFAOYSA-N
XLogP2.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776
(3-methylimidazol-4-yl)-[2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 118791140
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56874856
[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510154
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 52518702

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (CID 119035642) is (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is CC1CCN(CC2CCCN(C(=O)c3cncn3C)C2)CC1.
What is the InChIKey of (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is YKVKYLVGWSIPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-5-8-20(9-6-14)11-15-4-3-7-21(12-15)17(22)16-10-18-13-19(16)2/h10,13-15H,3-9,11-12H2,1-2H3.
What are the key properties of (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 304.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 119035642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).