4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide

C16H22BrN3O — CID 106643830

IUPAC4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccc(Br)cc1N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H22BrN3O/c17-12-3-6-14(16(18)21)15(8-12)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,(H2,18,21)
InChIKeyUGTHPVYOKSSATF-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.52
Rot. Bonds5

About 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide

4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide (PubChem CID 106643830) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
PubChem CID106643830
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccc(Br)cc1N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H22BrN3O/c17-12-3-6-14(16(18)21)15(8-12)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,(H2,18,21)
InChIKeyUGTHPVYOKSSATF-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid
CID 114900912
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642701
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
5-bromo-2-(piperidin-3-ylmethylamino)benzamide
CID 114893913
6-[cyclopropyl(piperidin-3-ylmethyl)amino]pyridazine-3-carboxamide
CID 106643858
4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
CID 114905646
4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106600096
4-bromo-2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107739211

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide?
The IUPAC name of 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide (CID 106643830) is 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide?
The canonical SMILES for 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide is NC(=O)c1ccc(Br)cc1N(CC1CCCNC1)C1CC1.
What is the InChIKey of 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide?
The InChIKey is UGTHPVYOKSSATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-12-3-6-14(16(18)21)15(8-12)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,(H2,18,21).
What are the key properties of 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide?
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide has a molecular weight of 352.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide is sourced from PubChem (CID 106643830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).