N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane

C15H28N4O — CID 142326899

IUPACN-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)Cc2nccn2C)CC1
InChIInChI=1S/C13H22N4O.C2H6/c1-13(4-7-16(2)8-5-13)15-12(18)10-11-14-6-9-17(11)3;1-2/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,18);1-2H3
InChIKeyCRQUZWPDPYLMBI-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.59
Rot. Bonds3

About N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane

N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane (PubChem CID 142326899) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane
PubChem CID142326899
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane
SMILESCC.CN1CCC(C)(NC(=O)Cc2nccn2C)CC1
InChIInChI=1S/C13H22N4O.C2H6/c1-13(4-7-16(2)8-5-13)15-12(18)10-11-14-6-9-17(11)3;1-2/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,18);1-2H3
InChIKeyCRQUZWPDPYLMBI-UHFFFAOYSA-N
XLogP1.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide
CID 165030580
2-(1-methylimidazol-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110474647
N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane
CID 142327060
N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474684
1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
CID 103450287
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
CID 79744204
N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide
CID 110474563
2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110474600
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane (CID 142326899) is N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane is CC.CN1CCC(C)(NC(=O)Cc2nccn2C)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane?
The InChIKey is CRQUZWPDPYLMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.C2H6/c1-13(4-7-16(2)8-5-13)15-12(18)10-11-14-6-9-17(11)3;1-2/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,18);1-2H3.
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane?
N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane has a molecular weight of 280.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane is sourced from PubChem (CID 142326899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).