N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide

C16H23N3O — CID 143660133

IUPACN-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide
SMILESC=CN1CCC(NC(=O)c2ccccc2NCC)CC1
InChIInChI=1S/C16H23N3O/c1-3-17-15-8-6-5-7-14(15)16(20)18-13-9-11-19(4-2)12-10-13/h4-8,13,17H,2-3,9-12H2,1H3,(H,18,20)
InChIKeyPPWXKCLYRRAWSJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds5

About N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide

N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide (PubChem CID 143660133) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide
PubChem CID143660133
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide
SMILESC=CN1CCC(NC(=O)c2ccccc2NCC)CC1
InChIInChI=1S/C16H23N3O/c1-3-17-15-8-6-5-7-14(15)16(20)18-13-9-11-19(4-2)12-10-13/h4-8,13,17H,2-3,9-12H2,1H3,(H,18,20)
InChIKeyPPWXKCLYRRAWSJ-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide?
The IUPAC name of N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide (CID 143660133) is N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide.
What is the SMILES notation for N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide?
The canonical SMILES for N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide is C=CN1CCC(NC(=O)c2ccccc2NCC)CC1.
What is the InChIKey of N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide?
The InChIKey is PPWXKCLYRRAWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-17-15-8-6-5-7-14(15)16(20)18-13-9-11-19(4-2)12-10-13/h4-8,13,17H,2-3,9-12H2,1H3,(H,18,20).
What are the key properties of N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide?
N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylpiperidin-4-yl)-2-(ethylamino)benzamide is sourced from PubChem (CID 143660133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).