2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide

C16H25N3O — CID 43694021

IUPAC2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
SMILESCc1c(NC(C)C2CCN(C)CC2)cccc1C(N)=O
InChIInChI=1S/C16H25N3O/c1-11-14(16(17)20)5-4-6-15(11)18-12(2)13-7-9-19(3)10-8-13/h4-6,12-13,18H,7-10H2,1-3H3,(H2,17,20)
InChIKeyBDPJHPOQHYGNMH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide

2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide (PubChem CID 43694021) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
PubChem CID43694021
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
SMILESCc1c(NC(C)C2CCN(C)CC2)cccc1C(N)=O
InChIInChI=1S/C16H25N3O/c1-11-14(16(17)20)5-4-6-15(11)18-12(2)13-7-9-19(3)10-8-13/h4-6,12-13,18H,7-10H2,1-3H3,(H2,17,20)
InChIKeyBDPJHPOQHYGNMH-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The IUPAC name of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide (CID 43694021) is 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide.
What is the SMILES notation for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The canonical SMILES for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide is Cc1c(NC(C)C2CCN(C)CC2)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The InChIKey is BDPJHPOQHYGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-14(16(17)20)5-4-6-15(11)18-12(2)13-7-9-19(3)10-8-13/h4-6,12-13,18H,7-10H2,1-3H3,(H2,17,20).
What are the key properties of 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide?
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide is sourced from PubChem (CID 43694021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).