[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

C12H20N4O — CID 107970772

IUPAC[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCCNC1CCN(C(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C12H20N4O/c1-3-13-10-4-6-16(7-5-10)12(17)11-8-15(2)9-14-11/h8-10,13H,3-7H2,1-2H3
InChIKeyRGQFBEUZFHBTOP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.63
Rot. Bonds3

About [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 107970772) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID107970772
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCCNC1CCN(C(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C12H20N4O/c1-3-13-10-4-6-16(7-5-10)12(17)11-8-15(2)9-14-11/h8-10,13H,3-7H2,1-2H3
InChIKeyRGQFBEUZFHBTOP-UHFFFAOYSA-N
XLogP0.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 114022412
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylimidazol-4-yl)methanone
CID 98895616
(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916386
2-[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 103859886

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 107970772) is [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is CCNC1CCN(C(=O)c2cn(C)cn2)CC1.
What is the InChIKey of [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is RGQFBEUZFHBTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-10-4-6-16(7-5-10)12(17)11-8-15(2)9-14-11/h8-10,13H,3-7H2,1-2H3.
What are the key properties of [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 107970772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).