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

C12H20N4O — CID 103510154

IUPAC[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCCNC1CCCN(C(=O)c2cncn2C)C1
InChIInChI=1S/C12H20N4O/c1-3-14-10-5-4-6-16(8-10)12(17)11-7-13-9-15(11)2/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyQVGCLLQUIKPLHQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.63
Rot. Bonds3

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

[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103510154) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103510154
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCCNC1CCCN(C(=O)c2cncn2C)C1
InChIInChI=1S/C12H20N4O/c1-3-14-10-5-4-6-16(8-10)12(17)11-7-13-9-15(11)2/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyQVGCLLQUIKPLHQ-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

(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510164
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151
(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone
CID 104668832
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56874856

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103510154) is [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is CCNC1CCCN(C(=O)c2cncn2C)C1.
What is the InChIKey of [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is QVGCLLQUIKPLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-14-10-5-4-6-16(8-10)12(17)11-7-13-9-15(11)2/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[3-(ethylamino)piperidin-1-yl]-(3-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 [3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103510154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).