(Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile

C15H23N3O3 — CID 108843865

IUPAC(Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/N1CCCCC1CCO)C(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O3/c16-11-13(15(20)17-6-9-21-10-7-17)12-18-5-2-1-3-14(18)4-8-19/h12,14,19H,1-10H2/b13-12-
InChIKeyXVALFKUXBZSJBU-SEYXRHQNSA-N
MW293.37 g/mol
LogP0.49
Rot. Bonds4

About (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile

(Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile (PubChem CID 108843865) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
PubChem CID108843865
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/N1CCCCC1CCO)C(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O3/c16-11-13(15(20)17-6-9-21-10-7-17)12-18-5-2-1-3-14(18)4-8-19/h12,14,19H,1-10H2/b13-12-
InChIKeyXVALFKUXBZSJBU-SEYXRHQNSA-N
XLogP0.49
TPSA76.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-chloroethyl)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108854672
3-[[(Z)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enoyl]amino]propanoic acid
CID 108817858
6-[[(Z)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enoyl]amino]hexanoic acid
CID 108845357
2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 94251916
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108863559
(Z)-N-(2-chlorophenyl)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108824569
(Z)-N-benzhydryl-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108840563
(Z)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824942
(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile
CID 108843747
(Z)-2-(morpholine-4-carbonyl)-3-(2-morpholin-4-ylethylamino)prop-2-enenitrile
CID 108843675
3-[[(Z)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]amino]propanoic acid
CID 108843555
(Z)-3-(3,5-dimethylpiperidin-1-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843695

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile (CID 108843865) is (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile is N#C/C(=C/N1CCCCC1CCO)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The InChIKey is XVALFKUXBZSJBU-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-11-13(15(20)17-6-9-21-10-7-17)12-18-5-2-1-3-14(18)4-8-19/h12,14,19H,1-10H2/b13-12-.
What are the key properties of (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
(Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile has a molecular weight of 293.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 108843865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).