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

C12H20N4O — CID 107160135

IUPAC[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC(C)(CN)CC1
InChIInChI=1S/C12H20N4O/c1-12(8-13)3-5-16(6-4-12)11(17)10-7-14-9-15(10)2/h7,9H,3-6,8,13H2,1-2H3
InChIKeyIETYQRXJQYJQAQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.62
Rot. Bonds2

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

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 107160135) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID107160135
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC(C)(CN)CC1
InChIInChI=1S/C12H20N4O/c1-12(8-13)3-5-16(6-4-12)11(17)10-7-14-9-15(10)2/h7,9H,3-6,8,13H2,1-2H3
InChIKeyIETYQRXJQYJQAQ-UHFFFAOYSA-N
XLogP0.62
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511374
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 107159927
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512261
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375
[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510289
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 107160135) is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCC(C)(CN)CC1.
What is the InChIKey of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is IETYQRXJQYJQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(8-13)3-5-16(6-4-12)11(17)10-7-14-9-15(10)2/h7,9H,3-6,8,13H2,1-2H3.
What are the key properties of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 107160135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).