N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide

C14H25N3O — CID 116643187

IUPACN,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide
SMILESCC#CCCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C14H25N3O/c1-4-5-6-9-15-13-7-10-17(11-8-13)12-14(18)16(2)3/h13,15H,6-12H2,1-3H3
InChIKeyPSLCGWSEXVNUMS-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.54
Rot. Bonds5

About N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide (PubChem CID 116643187) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide
PubChem CID116643187
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide
SMILESCC#CCCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C14H25N3O/c1-4-5-6-9-15-13-7-10-17(11-8-13)12-14(18)16(2)3/h13,15H,6-12H2,1-3H3
InChIKeyPSLCGWSEXVNUMS-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.54
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

2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646
2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43770571
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
N,N-dimethyl-2-[4-(2-sulfamoylethylamino)piperidin-1-yl]acetamide
CID 43777289
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-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
CID 103522748
2-[4-[(2-hydroxy-2-methylpropyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 65103485
2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 113303615
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide (CID 116643187) is N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide is CC#CCCNC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide?
The InChIKey is PSLCGWSEXVNUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-5-6-9-15-13-7-10-17(11-8-13)12-14(18)16(2)3/h13,15H,6-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 116643187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).