1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone

C13H24N2O2 — CID 103854368

IUPAC1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
SMILESC=CCCOCCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O2/c1-3-4-10-17-11-7-14-13-5-8-15(9-6-13)12(2)16/h3,13-14H,1,4-11H2,2H3
InChIKeyXFPQMKLDDFETAQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds7

About 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone

1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone (PubChem CID 103854368) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
PubChem CID103854368
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
SMILESC=CCCOCCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O2/c1-3-4-10-17-11-7-14-13-5-8-15(9-6-13)12(2)16/h3,13-14H,1,4-11H2,2H3
InChIKeyXFPQMKLDDFETAQ-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
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

N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
CID 103992533
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
N-(2-but-3-enoxyethyl)thian-4-amine
CID 115770559
N-(2-but-3-enoxyethyl)spiro[4.5]decan-8-amine
CID 106396988
ethyl 4-[2-(3-methylbutoxy)ethylamino]piperidine-1-carboxylate
CID 61483914
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591
ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate
CID 103235028
N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
CID 106397284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone (CID 103854368) is 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone is C=CCCOCCNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone?
The InChIKey is XFPQMKLDDFETAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-10-17-11-7-14-13-5-8-15(9-6-13)12(2)16/h3,13-14H,1,4-11H2,2H3.
What are the key properties of 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone?
1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 103854368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).