2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one

C14H26N2O2 — CID 86850796

IUPAC2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
SMILESC=CCCOC(C)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-5-6-11-18-12(2)14(17)16-9-7-13(8-10-16)15(3)4/h5,12-13H,1,6-11H2,2-4H3
InChIKeyGGRZTQYANSEJQJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.52
Rot. Bonds6

About 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one

2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one (PubChem CID 86850796) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
PubChem CID86850796
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
SMILESC=CCCOC(C)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-5-6-11-18-12(2)14(17)16-9-7-13(8-10-16)15(3)4/h5,12-13H,1,6-11H2,2-4H3
InChIKeyGGRZTQYANSEJQJ-UHFFFAOYSA-N
XLogP1.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one 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-Methyl-2-prop-2-enylmorpholin-3-one
CID 141957621
4-[4-[But-3-enyl(methyl)amino]piperidin-1-yl]morpholin-3-one
CID 144962446
(2S,3S)-2-methoxy-3-methyl-1-piperidin-1-ylpent-4-en-1-one
CID 10680015
(2R,3S)-2-methoxy-3-methyl-1-piperidin-1-ylpent-4-en-1-one
CID 10703722
1-(2-But-3-enoxyacetyl)piperidin-4-one
CID 62031203
tert-butyl N-[[1-(2-but-3-enoxypropanoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 72151824
2-But-3-enoxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 86851050
tert-butyl N-[[(3R)-1-[(2R)-2-but-3-enoxypropanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 95169714
tert-butyl N-[[(3S)-1-[(2R)-2-but-3-enoxypropanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 95169715
tert-butyl N-[[(3R)-1-[(2S)-2-but-3-enoxypropanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 95169716
tert-butyl N-[[(3S)-1-[(2S)-2-but-3-enoxypropanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 95169717
(2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one
CID 101105012

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one (CID 86850796) is 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one is C=CCCOC(C)C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is GGRZTQYANSEJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-6-11-18-12(2)14(17)16-9-7-13(8-10-16)15(3)4/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one?
2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86850796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).