(E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one

C14H26N2O2 — CID 134530969

IUPAC(E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one
SMILESCC(C)OCCNC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-13(2)18-12-9-15-8-6-7-14(17)16-10-4-3-5-11-16/h6-7,13,15H,3-5,8-12H2,1-2H3/b7-6+
InChIKeyNTVVBADRKVVJBJ-VOTSOKGWSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds7

About (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one

(E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one (PubChem CID 134530969) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one
PubChem CID134530969
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one
SMILESCC(C)OCCNC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-13(2)18-12-9-15-8-6-7-14(17)16-10-4-3-5-11-16/h6-7,13,15H,3-5,8-12H2,1-2H3/b7-6+
InChIKeyNTVVBADRKVVJBJ-VOTSOKGWSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 89242760
2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide
CID 95632866
N-(4-piperidin-3-yloxybutyl)prop-2-enamide
CID 20214267
N-[4-(1-morpholin-4-ylpropan-2-yloxy)butyl]prop-2-enamide
CID 20214393
N-[4-[3-[4-(prop-2-enoylamino)butoxy]piperidin-1-yl]butyl]prop-2-enamide
CID 20214445
N-[4-(2-piperidin-1-ylethoxy)butyl]prop-2-enamide
CID 20214489
N-(2-morpholin-4-ylhexyl)prop-2-enamide
CID 53886813
N'-(3-morpholin-4-ylpropyl)but-2-enediamide
CID 53959577
N-(2-morpholin-4-ylpentyl)prop-2-enamide
CID 54237816
N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 54322258
N-2-Morpholinylethylacrylamide
CID 54481936
CID 58998125
CID 58998125

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one (CID 134530969) is (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one is CC(C)OCCNC/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one?
The InChIKey is NTVVBADRKVVJBJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2)18-12-9-15-8-6-7-14(17)16-10-4-3-5-11-16/h6-7,13,15H,3-5,8-12H2,1-2H3/b7-6+.
What are the key properties of (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one?
(E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-yl-4-(2-propan-2-yloxyethylamino)but-2-en-1-one is sourced from PubChem (CID 134530969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).