(2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide

C12H21N3O2 — CID 89394878

IUPAC(2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide
SMILESN/C(=C\C=C\N1CCCCC1)C(=O)NCCO
InChIInChI=1S/C12H21N3O2/c13-11(12(17)14-6-10-16)5-4-9-15-7-2-1-3-8-15/h4-5,9,16H,1-3,6-8,10,13H2,(H,14,17)/b9-4+,11-5-
InChIKeyWLQFYEIBNWVRDL-ZEJGWAJFSA-N
MW239.32 g/mol
LogP-0.06
Rot. Bonds5

About (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide

(2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide (PubChem CID 89394878) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide
PubChem CID89394878
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide
SMILESN/C(=C\C=C\N1CCCCC1)C(=O)NCCO
InChIInChI=1S/C12H21N3O2/c13-11(12(17)14-6-10-16)5-4-9-15-7-2-1-3-8-15/h4-5,9,16H,1-3,6-8,10,13H2,(H,14,17)/b9-4+,11-5-
InChIKeyWLQFYEIBNWVRDL-ZEJGWAJFSA-N
XLogP-0.06
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide with MolForge

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Related Compounds

2-(3-acetamido-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
CID 24769798
1-[2-(2-Hydroxyethylamino)ethyl]pyridin-2-one
CID 82897196
(2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide
CID 89395564
N-[(1E,3E)-4-[4-(2-hydroxyacetyl)piperazin-1-yl]hexa-1,3,5-trienyl]propanamide
CID 124143117
4-hydroxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 134540820
3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one
CID 139390598
N,N-bis(2-hydroxyethyl)-1H-azepine-2-carboxamide
CID 140041886
1-Cyclopentyl-3-(methylamino)pyridin-2-one;methanol
CID 154661509
N-[1-(2-hydroxyethyl)-2-oxo-3-pyridinyl]propanamide
CID 170387115
3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one
CID 10241835
5-Amino-1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyridin-2-one
CID 43259547
N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 43389676

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide (CID 89394878) is (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide is N/C(=C\C=C\N1CCCCC1)C(=O)NCCO.
What is the InChIKey of (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide?
The InChIKey is WLQFYEIBNWVRDL-ZEJGWAJFSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-11(12(17)14-6-10-16)5-4-9-15-7-2-1-3-8-15/h4-5,9,16H,1-3,6-8,10,13H2,(H,14,17)/b9-4+,11-5-.
What are the key properties of (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide?
(2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide has a molecular weight of 239.32 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide is sourced from PubChem (CID 89394878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).