2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride

C18H27Cl2N3O — CID 68683324

IUPAC2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride
SMILESCC1CCN(c2cc(C3=CCNCC3)ccc2C(N)=O)CC1.Cl.Cl
InChIInChI=1S/C18H25N3O.2ClH/c1-13-6-10-21(11-7-13)17-12-15(2-3-16(17)18(19)22)14-4-8-20-9-5-14;;/h2-4,12-13,20H,5-11H2,1H3,(H2,19,22);2*1H
InChIKeyWPQZVGICWPYFMR-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride

2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride (PubChem CID 68683324) has the molecular formula C18H27Cl2N3O and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride
PubChem CID68683324
Molecular FormulaC18H27Cl2N3O
Molecular Weight372.34 g/mol
Exact Mass371.15
IUPAC Name2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride
SMILESCC1CCN(c2cc(C3=CCNCC3)ccc2C(N)=O)CC1.Cl.Cl
InChIInChI=1S/C18H25N3O.2ClH/c1-13-6-10-21(11-7-13)17-12-15(2-3-16(17)18(19)22)14-4-8-20-9-5-14;;/h2-4,12-13,20H,5-11H2,1H3,(H2,19,22);2*1H
InChIKeyWPQZVGICWPYFMR-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride (CID 68683324) is 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride is CC1CCN(c2cc(C3=CCNCC3)ccc2C(N)=O)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride?
The InChIKey is WPQZVGICWPYFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.2ClH/c1-13-6-10-21(11-7-13)17-12-15(2-3-16(17)18(19)22)14-4-8-20-9-5-14;;/h2-4,12-13,20H,5-11H2,1H3,(H2,19,22);2*1H.
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride?
2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride has a molecular weight of 372.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 68683324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).