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

C11H18N4O — CID 107970864

IUPAC[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C11H18N4O/c1-14-7-10(13-8-14)11(16)15-4-2-9(6-12)3-5-15/h7-9H,2-6,12H2,1H3
InChIKeyVBJJFDKBKKMWBV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.23
Rot. Bonds2

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

[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 107970864) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID107970864
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C11H18N4O/c1-14-7-10(13-8-14)11(16)15-4-2-9(6-12)3-5-15/h7-9H,2-6,12H2,1H3
InChIKeyVBJJFDKBKKMWBV-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

(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970772
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341
(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916386
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455
[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylimidazol-4-yl)methanone
CID 98897595
2-[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 103859886

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 107970864) is [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCC(CN)CC2)c1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is VBJJFDKBKKMWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-7-10(13-8-14)11(16)15-4-2-9(6-12)3-5-15/h7-9H,2-6,12H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(1-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 [4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 107970864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).