(2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one

C14H26N2O3 — CID 95348371

IUPAC(2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
SMILESC=CCCO[C@H](C)C(=O)N1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-5-10-19-13(3)14(18)16-8-6-15(7-9-16)11-12(2)17/h4,12-13,17H,1,5-11H2,2-3H3/t12-,13+/m0/s1
InChIKeyIBHTVVIDEVZJTI-QWHCGFSZSA-N
MW270.37 g/mol
LogP0.49
Rot. Bonds7

About (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one

(2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one (PubChem CID 95348371) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
PubChem CID95348371
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
SMILESC=CCCO[C@H](C)C(=O)N1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-5-10-19-13(3)14(18)16-8-6-15(7-9-16)11-12(2)17/h4,12-13,17H,1,5-11H2,2-3H3/t12-,13+/m0/s1
InChIKeyIBHTVVIDEVZJTI-QWHCGFSZSA-N
XLogP0.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-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

1-(azocan-1-yl)-2-but-3-enoxypropan-1-one
CID 86849553
2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 56802515
2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119648320
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95601915
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95601912
1-[(3S)-3-aminopyrrolidin-1-yl]-2-but-3-enoxypropan-1-one;hydrochloride
CID 119934596
1-[(2S)-2-but-3-enoxypropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 97233581
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119542361
2-but-3-enoxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 86851050
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119542360
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575

Frequently Asked Questions

What is the IUPAC name of (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one (CID 95348371) is (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one is C=CCCO[C@H](C)C(=O)N1CCN(C[C@H](C)O)CC1.
What is the InChIKey of (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The InChIKey is IBHTVVIDEVZJTI-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-5-10-19-13(3)14(18)16-8-6-15(7-9-16)11-12(2)17/h4,12-13,17H,1,5-11H2,2-3H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
(2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95348371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).