(Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile

C14H23N5O2 — CID 108843678

IUPAC(Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile
SMILESN#C/C(=C/NCCN1CCNCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H23N5O2/c15-11-13(14(20)19-7-9-21-10-8-19)12-17-3-6-18-4-1-16-2-5-18/h12,16-17H,1-10H2/b13-12-
InChIKeyWVYCQJQKUDTKAC-SEYXRHQNSA-N
MW293.37 g/mol
LogP-1.25
Rot. Bonds5

About (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile

(Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile (PubChem CID 108843678) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile
PubChem CID108843678
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile
SMILESN#C/C(=C/NCCN1CCNCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H23N5O2/c15-11-13(14(20)19-7-9-21-10-8-19)12-17-3-6-18-4-1-16-2-5-18/h12,16-17H,1-10H2/b13-12-
InChIKeyWVYCQJQKUDTKAC-SEYXRHQNSA-N
XLogP-1.25
TPSA80.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
N-[3-[[(Z)-2-cyano-3-oxo-3-piperazin-1-ylprop-1-enyl]amino]propyl]formamide
CID 108820003
(Z)-2-(4-methylpiperidine-1-carbonyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enenitrile
CID 108831824
(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile
CID 108843747
(Z)-2-cyano-3-morpholin-4-yl-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863767
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylprop-2-enamide
CID 108829587
(Z)-2-cyano-3-(2-methoxyethylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863711
(Z)-2-(4-benzylpiperazine-1-carbonyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enenitrile
CID 108861526
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(2-morpholin-4-ylethylamino)prop-2-enenitrile
CID 108834790
(Z)-2-[4-(2-aminoethyl)piperazine-1-carbonyl]-3-(propylamino)prop-2-enenitrile
CID 108863640
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-piperazin-1-ylethylamino)prop-2-enamide
CID 108821772

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile?
The IUPAC name of (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile (CID 108843678) is (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile is N#C/C(=C/NCCN1CCNCC1)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile?
The InChIKey is WVYCQJQKUDTKAC-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-11-13(14(20)19-7-9-21-10-8-19)12-17-3-6-18-4-1-16-2-5-18/h12,16-17H,1-10H2/b13-12-.
What are the key properties of (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile?
(Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile has a molecular weight of 293.37 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(morpholine-4-carbonyl)-3-(2-piperazin-1-ylethylamino)prop-2-enenitrile is sourced from PubChem (CID 108843678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).