(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C17H24Cl2N4O — CID 122147578

IUPAC(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-18-11-14-4-3-8-20(12-14)17(22)15-5-2-6-16(10-15)21-9-7-19-13-21;;/h2,5-7,9-10,13-14,18H,3-4,8,11-12H2,1H3;2*1H
InChIKeyCOKCUVVMYOSVDM-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.79
Rot. Bonds4

About (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 122147578) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID122147578
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC Name(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-18-11-14-4-3-8-20(12-14)17(22)15-5-2-6-16(10-15)21-9-7-19-13-21;;/h2,5-7,9-10,13-14,18H,3-4,8,11-12H2,1H3;2*1H
InChIKeyCOKCUVVMYOSVDM-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398113
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[3-(methylaminomethyl)piperidin-1-yl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 119398944
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973

Frequently Asked Questions

What is the IUPAC name of (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 122147578) is (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CNCC1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1.Cl.Cl.
What is the InChIKey of (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is COKCUVVMYOSVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2ClH/c1-18-11-14-4-3-8-20(12-14)17(22)15-5-2-6-16(10-15)21-9-7-19-13-21;;/h2,5-7,9-10,13-14,18H,3-4,8,11-12H2,1H3;2*1H.
What are the key properties of (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 122147578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).