2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide

C12H25N3O2 — CID 43770571

IUPAC2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NCCCO)CC1
InChIInChI=1S/C12H25N3O2/c1-14(2)12(17)10-15-7-4-11(5-8-15)13-6-3-9-16/h11,13,16H,3-10H2,1-2H3
InChIKeyQHJDEEBKSGPMHS-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.49
Rot. Bonds6

About 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 43770571) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID43770571
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NCCCO)CC1
InChIInChI=1S/C12H25N3O2/c1-14(2)12(17)10-15-7-4-11(5-8-15)13-6-3-9-16/h11,13,16H,3-10H2,1-2H3
InChIKeyQHJDEEBKSGPMHS-UHFFFAOYSA-N
XLogP-0.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103905502
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
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
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 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide (CID 43770571) is 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(NCCCO)CC1.
What is the InChIKey of 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is QHJDEEBKSGPMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-14(2)12(17)10-15-7-4-11(5-8-15)13-6-3-9-16/h11,13,16H,3-10H2,1-2H3.
What are the key properties of 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 243.35 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43770571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).