2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide

C15H27N3O — CID 103903646

IUPAC2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESC#CCCCCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H27N3O/c1-4-5-6-7-10-16-14-8-11-18(12-9-14)13-15(19)17(2)3/h1,14,16H,5-13H2,2-3H3
InChIKeyJFBQJGOTFANFKV-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.93
Rot. Bonds7

About 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 103903646) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID103903646
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESC#CCCCCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H27N3O/c1-4-5-6-7-10-16-14-8-11-18(12-9-14)13-15(19)17(2)3/h1,14,16H,5-13H2,2-3H3
InChIKeyJFBQJGOTFANFKV-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]pentanamide
CID 106233558
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789
2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43770571
N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide
CID 116643187
2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide
CID 81343649
2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103905502
N,N-dimethyl-2-[4-(2-sulfamoylethylamino)piperidin-1-yl]acetamide
CID 43777289
2-[4-[(2-hydroxy-2-methylpropyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 65103485
N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
CID 103522748
2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 113303615
4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262365

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide (CID 103903646) is 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide is C#CCCCCNC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is JFBQJGOTFANFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-5-6-7-10-16-14-8-11-18(12-9-14)13-15(19)17(2)3/h1,14,16H,5-13H2,2-3H3.
What are the key properties of 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 265.40 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 103903646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).