(E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one

C12H22N2O — CID 102045232

IUPAC(E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)NCCN1CCCCC1
InChIInChI=1S/C12H22N2O/c1-11(10-12(2)15)13-6-9-14-7-4-3-5-8-14/h10,13H,3-9H2,1-2H3/b11-10+
InChIKeyPFMIDLORCDJUJS-ZHACJKMWSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds5

About (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one

(E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one (PubChem CID 102045232) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one
PubChem CID102045232
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)NCCN1CCCCC1
InChIInChI=1S/C12H22N2O/c1-11(10-12(2)15)13-6-9-14-7-4-3-5-8-14/h10,13H,3-9H2,1-2H3/b11-10+
InChIKeyPFMIDLORCDJUJS-ZHACJKMWSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Penten-2-one, 4,4'-(1,2-ethanediyldiimino)bis-, (3Z,3'Z)-
CID 5462863
N-[3,6-dioxo-4-(2-piperidin-1-ylethylamino)cyclohexa-1,4-dien-1-yl]acetamide
CID 137634599
(E)-4-[2-[[(E)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one
CID 5715222
4-[2-(1-Methyl-3-oxo-but-1-enylamino)-ethylamino]-pent-3-en-2-one
CID 157818
(Z)-4-(cyclohexylamino)pent-3-en-2-one
CID 11063031
4-(Cyclohexylamino)-3-penten-2-one
CID 68500602
(E)-4-piperidin-1-ylpent-3-en-2-one
CID 11137514
4,4'-(1,6-Hexanediyldiimino)bis(3-penten-2-one)
CID 3734901
(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one
CID 59155341
2-(Acetylmethylene)tetrahydropyridine
CID 68119052
(Z)-4-(pentylamino)pent-3-en-2-one
CID 130176447
3-Penten-2-one, 4,4'-(1,2-ethanediyldiimino)bis-
CID 12486190

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one?
The IUPAC name of (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one (CID 102045232) is (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one?
The canonical SMILES for (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one is CC(=O)/C=C(\C)NCCN1CCCCC1.
What is the InChIKey of (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one?
The InChIKey is PFMIDLORCDJUJS-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(10-12(2)15)13-6-9-14-7-4-3-5-8-14/h10,13H,3-9H2,1-2H3/b11-10+.
What are the key properties of (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one?
(E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-piperidin-1-ylethylamino)pent-3-en-2-one is sourced from PubChem (CID 102045232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).