5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide

C14H20BrN3O — CID 114893995

IUPAC5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
SMILESCCN(c1ccc(Br)cc1C(N)=O)C1CCCNC1
InChIInChI=1S/C14H20BrN3O/c1-2-18(11-4-3-7-17-9-11)13-6-5-10(15)8-12(13)14(16)19/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19)
InChIKeyWOYOFQISLICNAS-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide

5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide (PubChem CID 114893995) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
PubChem CID114893995
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
SMILESCCN(c1ccc(Br)cc1C(N)=O)C1CCCNC1
InChIInChI=1S/C14H20BrN3O/c1-2-18(11-4-3-7-17-9-11)13-6-5-10(15)8-12(13)14(16)19/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19)
InChIKeyWOYOFQISLICNAS-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide
CID 107280707
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide
CID 114894072
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
2-chloro-6-[ethyl(piperidin-3-yl)amino]benzamide
CID 63638436
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
2-[ethyl(piperidin-3-yl)amino]pyridine-4-carboxamide
CID 55244733
5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
6-[ethyl(piperidin-3-yl)amino]pyridine-3-carboxamide
CID 63637691
3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide
CID 63636499

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide?
The IUPAC name of 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide (CID 114893995) is 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide.
What is the SMILES notation for 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide?
The canonical SMILES for 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide is CCN(c1ccc(Br)cc1C(N)=O)C1CCCNC1.
What is the InChIKey of 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide?
The InChIKey is WOYOFQISLICNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-18(11-4-3-7-17-9-11)13-6-5-10(15)8-12(13)14(16)19/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19).
What are the key properties of 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide?
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide has a molecular weight of 326.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide is sourced from PubChem (CID 114893995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).