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

C15H28N2O2 — CID 119648320

IUPAC2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
SMILESC=CCCOC(C)C(=O)N1CCC(CNCC)CC1
InChIInChI=1S/C15H28N2O2/c1-4-6-11-19-13(3)15(18)17-9-7-14(8-10-17)12-16-5-2/h4,13-14,16H,1,5-12H2,2-3H3
InChIKeyNCTLILAGZZOSCB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.82
Rot. Bonds8

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

2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 119648320) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID119648320
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
SMILESC=CCCOC(C)C(=O)N1CCC(CNCC)CC1
InChIInChI=1S/C15H28N2O2/c1-4-6-11-19-13(3)15(18)17-9-7-14(8-10-17)12-16-5-2/h4,13-14,16H,1,5-12H2,2-3H3
InChIKeyNCTLILAGZZOSCB-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119542361
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119542360
1-[(3S)-3-aminopyrrolidin-1-yl]-2-but-3-enoxypropan-1-one;hydrochloride
CID 119934596
1-(azocan-1-yl)-2-but-3-enoxypropan-1-one
CID 86849553
2-butoxy-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546364
(2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95348371
2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 62338415
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
2-but-3-enoxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 86851050
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one (CID 119648320) is 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one is C=CCCOC(C)C(=O)N1CCC(CNCC)CC1.
What is the InChIKey of 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is NCTLILAGZZOSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-6-11-19-13(3)15(18)17-9-7-14(8-10-17)12-16-5-2/h4,13-14,16H,1,5-12H2,2-3H3.
What are the key properties of 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119648320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).