4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide

C16H24BrN3O — CID 106641422

IUPAC4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
SMILESCC(C)N(CC1CCCCN1)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C16H24BrN3O/c1-11(2)20(10-13-5-3-4-8-19-13)15-9-12(17)6-7-14(15)16(18)21/h6-7,9,11,13,19H,3-5,8,10H2,1-2H3,(H2,18,21)
InChIKeySLSRNWSGYCQUPW-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.90
Rot. Bonds5

About 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide

4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide (PubChem CID 106641422) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
PubChem CID106641422
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
SMILESCC(C)N(CC1CCCCN1)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C16H24BrN3O/c1-11(2)20(10-13-5-3-4-8-19-13)15-9-12(17)6-7-14(15)16(18)21/h6-7,9,11,13,19H,3-5,8,10H2,1-2H3,(H2,18,21)
InChIKeySLSRNWSGYCQUPW-UHFFFAOYSA-N
XLogP2.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
5-bromo-2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619071
4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641317
5-bromo-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 107730032
4-bromo-2-hydroxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609548
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620042
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 106641481
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
CID 106618863
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide?
The IUPAC name of 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide (CID 106641422) is 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide.
What is the SMILES notation for 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide?
The canonical SMILES for 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide is CC(C)N(CC1CCCCN1)c1cc(Br)ccc1C(N)=O.
What is the InChIKey of 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide?
The InChIKey is SLSRNWSGYCQUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11(2)20(10-13-5-3-4-8-19-13)15-9-12(17)6-7-14(15)16(18)21/h6-7,9,11,13,19H,3-5,8,10H2,1-2H3,(H2,18,21).
What are the key properties of 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide?
4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide has a molecular weight of 354.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide is sourced from PubChem (CID 106641422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).