N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide

C15H23BrN4O — CID 60806990

IUPACN-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Br)cn1)C1CCNCC1
InChIInChI=1S/C15H23BrN4O/c1-2-9-20(13-5-7-17-8-6-13)11-15(21)19-14-4-3-12(16)10-18-14/h3-4,10,13,17H,2,5-9,11H2,1H3,(H,18,19,21)
InChIKeyZXDIRLVCOCCHIS-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.25
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide

N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide (PubChem CID 60806990) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
PubChem CID60806990
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Br)cn1)C1CCNCC1
InChIInChI=1S/C15H23BrN4O/c1-2-9-20(13-5-7-17-8-6-13)11-15(21)19-14-4-3-12(16)10-18-14/h3-4,10,13,17H,2,5-9,11H2,1H3,(H,18,19,21)
InChIKeyZXDIRLVCOCCHIS-UHFFFAOYSA-N
XLogP2.25
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 661163
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
N-(2-bromophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
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CID 293097
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CID 2166281

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide (CID 60806990) is N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(Br)cn1)C1CCNCC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The InChIKey is ZXDIRLVCOCCHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-2-9-20(13-5-7-17-8-6-13)11-15(21)19-14-4-3-12(16)10-18-14/h3-4,10,13,17H,2,5-9,11H2,1H3,(H,18,19,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide has a molecular weight of 355.28 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide is sourced from PubChem (CID 60806990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).