(Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide

C18H33N5O — CID 108863981

IUPAC(Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NCCN1CCNCC1)CCCC
InChIInChI=1S/C18H33N5O/c1-3-5-10-23(11-6-4-2)16-17(15-19)18(24)21-9-14-22-12-7-20-8-13-22/h16,20H,3-14H2,1-2H3,(H,21,24)/b17-16-
InChIKeyFIDPBBFZEPDIPH-MSUUIHNZSA-N
MW335.50 g/mol
LogP1.32
Rot. Bonds11

About (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide

(Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide (PubChem CID 108863981) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
PubChem CID108863981
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name(Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NCCN1CCNCC1)CCCC
InChIInChI=1S/C18H33N5O/c1-3-5-10-23(11-6-4-2)16-17(15-19)18(24)21-9-14-22-12-7-20-8-13-22/h16,20H,3-14H2,1-2H3,(H,21,24)/b17-16-
InChIKeyFIDPBBFZEPDIPH-MSUUIHNZSA-N
XLogP1.32
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.32
H-Bond Donors ≤ 52
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)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108864059
(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863861
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863983
(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide
CID 108863691
(Z)-2-cyano-3-(2-methoxyethylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863711
(Z)-2-cyano-3-morpholin-4-yl-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863767
(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(3-propan-2-yloxypropylamino)prop-2-enamide
CID 108863993
(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide
CID 108829642
(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide
CID 108836899
(Z)-2-cyano-3-(4-methoxyanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863685
(Z)-2-cyano-3-(4-iodoanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108864175

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide (CID 108863981) is (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide is CCCCN(/C=C(/C#N)C(=O)NCCN1CCNCC1)CCCC.
What is the InChIKey of (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The InChIKey is FIDPBBFZEPDIPH-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H33N5O/c1-3-5-10-23(11-6-4-2)16-17(15-19)18(24)21-9-14-22-12-7-20-8-13-22/h16,20H,3-14H2,1-2H3,(H,21,24)/b17-16-.
What are the key properties of (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide?
(Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide has a molecular weight of 335.50 g/mol, XLogP of 1.32, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 108863981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).