N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide

C17H27N3O — CID 43734494

IUPACN,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
SMILESCNC(=O)c1cccc(NC(C)C2CCN(C)CC2)c1C
InChIInChI=1S/C17H27N3O/c1-12-15(17(21)18-3)6-5-7-16(12)19-13(2)14-8-10-20(4)11-9-14/h5-7,13-14,19H,8-11H2,1-4H3,(H,18,21)
InChIKeyYUHBZXPJPVZMCO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.50
Rot. Bonds4

About N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide

N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide (PubChem CID 43734494) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
PubChem CID43734494
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
SMILESCNC(=O)c1cccc(NC(C)C2CCN(C)CC2)c1C
InChIInChI=1S/C17H27N3O/c1-12-15(17(21)18-3)6-5-7-16(12)19-13(2)14-8-10-20(4)11-9-14/h5-7,13-14,19H,8-11H2,1-4H3,(H,18,21)
InChIKeyYUHBZXPJPVZMCO-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide (CID 43734494) is N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide is CNC(=O)c1cccc(NC(C)C2CCN(C)CC2)c1C.
What is the InChIKey of N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The InChIKey is YUHBZXPJPVZMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-15(17(21)18-3)6-5-7-16(12)19-13(2)14-8-10-20(4)11-9-14/h5-7,13-14,19H,8-11H2,1-4H3,(H,18,21).
What are the key properties of N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide?
N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide is sourced from PubChem (CID 43734494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).