2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide

C15H31N3O2 — CID 103905502

IUPAC2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(CO)CCCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(12-19)5-4-8-16-14-6-9-18(10-7-14)11-15(20)17(2)3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyHYUVUYZUBIPAKC-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.54
Rot. Bonds8

About 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 103905502) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID103905502
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(CO)CCCNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(12-19)5-4-8-16-14-6-9-18(10-7-14)11-15(20)17(2)3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyHYUVUYZUBIPAKC-UHFFFAOYSA-N
XLogP0.54
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide 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

4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912870
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
1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
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-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646
2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 113303615
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
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide (CID 103905502) is 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide is CC(CO)CCCNC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is HYUVUYZUBIPAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(12-19)5-4-8-16-14-6-9-18(10-7-14)11-15(20)17(2)3/h13-14,16,19H,4-12H2,1-3H3.
What are the key properties of 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 285.43 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 103905502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).