2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide

C16H20Br2N2O — CID 106628749

IUPAC2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1cc(Br)ccc1Br)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20Br2N2O/c17-12-3-6-15(18)14(8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h3,6,8,11,13,19H,1-2,4-5,7,9-10H2
InChIKeyICYVIRXMZXPDDB-UHFFFAOYSA-N
MW416.16 g/mol
LogP3.82
Rot. Bonds4

About 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide

2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106628749) has the molecular formula C16H20Br2N2O and a molecular weight of 416.16 g/mol. Its IUPAC name is 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106628749
Molecular FormulaC16H20Br2N2O
Molecular Weight416.16 g/mol
Exact Mass413.99
IUPAC Name2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1cc(Br)ccc1Br)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20Br2N2O/c17-12-3-6-15(18)14(8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h3,6,8,11,13,19H,1-2,4-5,7,9-10H2
InChIKeyICYVIRXMZXPDDB-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106628800
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide
CID 113364301
5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide
CID 60956316
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide (CID 106628749) is 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide is O=C(c1cc(Br)ccc1Br)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is ICYVIRXMZXPDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2O/c17-12-3-6-15(18)14(8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h3,6,8,11,13,19H,1-2,4-5,7,9-10H2.
What are the key properties of 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 416.16 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106628749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).