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

C13H23N5O — CID 108863691

IUPAC(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide
SMILESCC(C)N/C=C(/C#N)C(=O)NCCN1CCNCC1
InChIInChI=1S/C13H23N5O/c1-11(2)17-10-12(9-14)13(19)16-5-8-18-6-3-15-4-7-18/h10-11,15,17H,3-8H2,1-2H3,(H,16,19)/b12-10-
InChIKeyGMKOPQLLDRLMAD-BENRWUELSA-N
MW265.36 g/mol
LogP-0.59
Rot. Bonds6

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

(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide (PubChem CID 108863691) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide
PubChem CID108863691
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide
SMILESCC(C)N/C=C(/C#N)C(=O)NCCN1CCNCC1
InChIInChI=1S/C13H23N5O/c1-11(2)17-10-12(9-14)13(19)16-5-8-18-6-3-15-4-7-18/h10-11,15,17H,3-8H2,1-2H3,(H,16,19)/b12-10-
InChIKeyGMKOPQLLDRLMAD-BENRWUELSA-N
XLogP-0.59
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
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)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(3-propan-2-yloxypropylamino)prop-2-enamide
CID 108863993
(Z)-2-cyano-3-(2-methoxyethylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863711
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863983
(Z)-2-cyano-3-(4-iodoanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108864175
(Z)-2-cyano-3-(4-methoxyanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863685
methyl 4-[[(Z)-2-cyano-3-oxo-3-(2-piperazin-1-ylethylamino)prop-1-enyl]amino]benzoate
CID 108864051
(Z)-2-cyano-3-morpholin-4-yl-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863767
(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-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863981
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108864059
methyl 4-[[[(Z)-2-cyano-3-oxo-3-(2-piperazin-1-ylethylamino)prop-1-enyl]amino]methyl]benzoate
CID 108864271
(Z)-2-cyano-3-(2,4-dichloroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863687

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide (CID 108863691) is (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide is CC(C)N/C=C(/C#N)C(=O)NCCN1CCNCC1.
What is the InChIKey of (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide?
The InChIKey is GMKOPQLLDRLMAD-BENRWUELSA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(2)17-10-12(9-14)13(19)16-5-8-18-6-3-15-4-7-18/h10-11,15,17H,3-8H2,1-2H3,(H,16,19)/b12-10-.
What are the key properties of (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide?
(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-(propan-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108863691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).