(Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide

C14H24N4O3 — CID 108836683

IUPAC(Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C\N1CCN(CCO)CC1
InChIInChI=1S/C14H24N4O3/c1-21-10-2-3-16-14(20)13(11-15)12-18-6-4-17(5-7-18)8-9-19/h12,19H,2-10H2,1H3,(H,16,20)/b13-12-
InChIKeyDIYBODGJAQWQCF-SEYXRHQNSA-N
MW296.37 g/mol
LogP-0.84
Rot. Bonds8

About (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide

(Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 108836683) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
PubChem CID108836683
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name(Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C\N1CCN(CCO)CC1
InChIInChI=1S/C14H24N4O3/c1-21-10-2-3-16-14(20)13(11-15)12-18-6-4-17(5-7-18)8-9-19/h12,19H,2-10H2,1H3,(H,16,20)/b13-12-
InChIKeyDIYBODGJAQWQCF-SEYXRHQNSA-N
XLogP-0.84
TPSA88.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.84
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)-3-(azepan-1-yl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833330
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 108836765
methyl 4-[(Z)-3-(3-butoxypropylamino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108837252
(Z)-N-butyl-2-cyano-3-pyrrolidin-1-ylprop-2-enamide
CID 108833701
(Z)-N-(2-chloroethyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide
CID 108854478
(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide
CID 108836899
(Z)-2-cyano-3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862940
(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide
CID 108836963
(Z)-N-(3-butoxypropyl)-2-cyano-3-(4-methylsulfonylpiperazin-1-yl)prop-2-enamide
CID 108837249
methyl 4-[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]piperazine-1-carboxylate
CID 108820514
(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108833346
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108834207

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide (CID 108836683) is (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide is COCCCNC(=O)/C(C#N)=C\N1CCN(CCO)CC1.
What is the InChIKey of (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is DIYBODGJAQWQCF-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-21-10-2-3-16-14(20)13(11-15)12-18-6-4-17(5-7-18)8-9-19/h12,19H,2-10H2,1H3,(H,16,20)/b13-12-.
What are the key properties of (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide?
(Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 108836683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).