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

C11H18N4O — CID 103510238

IUPAC[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC(CN)C1
InChIInChI=1S/C11H18N4O/c1-14-8-13-6-10(14)11(16)15-4-2-3-9(5-12)7-15/h6,8-9H,2-5,7,12H2,1H3
InChIKeySAOKGUKILCFCGD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.23
Rot. Bonds2

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

[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103510238) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103510238
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC(CN)C1
InChIInChI=1S/C11H18N4O/c1-14-8-13-6-10(14)11(16)15-4-2-3-9(5-12)7-15/h6,8-9H,2-5,7,12H2,1H3
InChIKeySAOKGUKILCFCGD-UHFFFAOYSA-N
XLogP0.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
[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
(3-methylimidazol-4-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56867190
[(3R)-3-(aminomethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 129371649
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103510238) is [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCCC(CN)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is SAOKGUKILCFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-8-13-6-10(14)11(16)15-4-2-3-9(5-12)7-15/h6,8-9H,2-5,7,12H2,1H3.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103510238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).