(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide

C15H27N5O — CID 108864059

IUPAC(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESCCCCN(C)/C=C(/C#N)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H27N5O/c1-3-4-8-19(2)13-14(12-16)15(21)18-7-11-20-9-5-17-6-10-20/h13,17H,3-11H2,1-2H3,(H,18,21)/b14-13-
InChIKeyXVGJIMWQDPTJDO-YPKPFQOOSA-N
MW293.41 g/mol
LogP0.15
Rot. Bonds8

About (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide

(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide (PubChem CID 108864059) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide
PubChem CID108864059
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESCCCCN(C)/C=C(/C#N)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H27N5O/c1-3-4-8-19(2)13-14(12-16)15(21)18-7-11-20-9-5-17-6-10-20/h13,17H,3-11H2,1-2H3,(H,18,21)/b14-13-
InChIKeyXVGJIMWQDPTJDO-YPKPFQOOSA-N
XLogP0.15
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.15
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)-2-cyano-3-(dibutylamino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863981
(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863861
(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-(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
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
methyl 4-[[(Z)-2-cyano-3-oxo-3-(2-piperazin-1-ylethylamino)prop-1-enyl]amino]benzoate
CID 108864051
(Z)-N-(3-butoxypropyl)-2-cyano-3-[2-hydroxyethyl(methyl)amino]prop-2-enamide
CID 108837091

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide (CID 108864059) is (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide is CCCCN(C)/C=C(/C#N)C(=O)NCCN1CCNCC1.
What is the InChIKey of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The InChIKey is XVGJIMWQDPTJDO-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-4-8-19(2)13-14(12-16)15(21)18-7-11-20-9-5-17-6-10-20/h13,17H,3-11H2,1-2H3,(H,18,21)/b14-13-.
What are the key properties of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide?
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-piperazin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 108864059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).