N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide

C17H35N3O — CID 115566789

IUPACN,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
SMILESCCCCCCCCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-4-5-6-7-8-9-12-18-16-10-13-20(14-11-16)15-17(21)19(2)3/h16,18H,4-15H2,1-3H3
InChIKeyMBWHPIAFCKUAPS-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.49
Rot. Bonds10

About N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide (PubChem CID 115566789) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
PubChem CID115566789
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
SMILESCCCCCCCCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-4-5-6-7-8-9-12-18-16-10-13-20(14-11-16)15-17(21)19(2)3/h16,18H,4-15H2,1-3H3
InChIKeyMBWHPIAFCKUAPS-UHFFFAOYSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]pentanamide
CID 106233558
2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43770571
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646
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
N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide
CID 116643187
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide (CID 115566789) is N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide is CCCCCCCCNC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide?
The InChIKey is MBWHPIAFCKUAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-5-6-7-8-9-12-18-16-10-13-20(14-11-16)15-17(21)19(2)3/h16,18H,4-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.49, 10 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-(octylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 115566789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).