3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one

C13H22N4O — CID 63248882

IUPAC3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCN(C(=O)CCn2ccnc2)CC1
InChIInChI=1S/C13H22N4O/c1-14-10-12-2-7-17(8-3-12)13(18)4-6-16-9-5-15-11-16/h5,9,11-12,14H,2-4,6-8,10H2,1H3
InChIKeyUTRKWABLNMGOQA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.73
Rot. Bonds5

About 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one

3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 63248882) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID63248882
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCN(C(=O)CCn2ccnc2)CC1
InChIInChI=1S/C13H22N4O/c1-14-10-12-2-7-17(8-3-12)13(18)4-6-16-9-5-15-11-16/h5,9,11-12,14H,2-4,6-8,10H2,1H3
InChIKeyUTRKWABLNMGOQA-UHFFFAOYSA-N
XLogP0.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484917
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
tert-butyl 4-[(2-imidazol-1-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730192
(4aS,9aS)-7-(3-imidazol-1-ylpropanoyl)-4-methyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110127038
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630
1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659083
4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 63125262

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 63248882) is 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one is CNCC1CCN(C(=O)CCn2ccnc2)CC1.
What is the InChIKey of 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is UTRKWABLNMGOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-10-12-2-7-17(8-3-12)13(18)4-6-16-9-5-15-11-16/h5,9,11-12,14H,2-4,6-8,10H2,1H3.
What are the key properties of 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 250.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 63248882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).