(4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride

C19H26Cl2N4O — CID 154899652

IUPAC(4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride
SMILESCC1CCN(C(=O)c2cccc(-c3nc4c([nH]3)CNCC4)c2)CC1.Cl.Cl
InChIInChI=1S/C19H24N4O.2ClH/c1-13-6-9-23(10-7-13)19(24)15-4-2-3-14(11-15)18-21-16-5-8-20-12-17(16)22-18;;/h2-4,11,13,20H,5-10,12H2,1H3,(H,21,22);2*1H
InChIKeyYCAXKNDYXDCXBC-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.44
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride

(4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride (PubChem CID 154899652) has the molecular formula C19H26Cl2N4O and a molecular weight of 397.35 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride
PubChem CID154899652
Molecular FormulaC19H26Cl2N4O
Molecular Weight397.35 g/mol
Exact Mass396.15
IUPAC Name(4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride
SMILESCC1CCN(C(=O)c2cccc(-c3nc4c([nH]3)CNCC4)c2)CC1.Cl.Cl
InChIInChI=1S/C19H24N4O.2ClH/c1-13-6-9-23(10-7-13)19(24)15-4-2-3-14(11-15)18-21-16-5-8-20-12-17(16)22-18;;/h2-4,11,13,20H,5-10,12H2,1H3,(H,21,22);2*1H
InChIKeyYCAXKNDYXDCXBC-UHFFFAOYSA-N
XLogP3.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride?
The IUPAC name of (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride (CID 154899652) is (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride?
The canonical SMILES for (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride is CC1CCN(C(=O)c2cccc(-c3nc4c([nH]3)CNCC4)c2)CC1.Cl.Cl.
What is the InChIKey of (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride?
The InChIKey is YCAXKNDYXDCXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.2ClH/c1-13-6-9-23(10-7-13)19(24)15-4-2-3-14(11-15)18-21-16-5-8-20-12-17(16)22-18;;/h2-4,11,13,20H,5-10,12H2,1H3,(H,21,22);2*1H.
What are the key properties of (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride?
(4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride has a molecular weight of 397.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methanone;dihydrochloride is sourced from PubChem (CID 154899652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).