(Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide

C17H20N4O2 — CID 108842155

IUPAC(Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide
SMILESCC(=O)N1CCN(/C=C(/C#N)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H20N4O2/c1-14(22)21-9-7-20(8-10-21)13-16(11-18)17(23)19-12-15-5-3-2-4-6-15/h2-6,13H,7-10,12H2,1H3,(H,19,23)/b16-13-
InChIKeyLWEWZTXTZMKXCT-SSZFMOIBSA-N
MW312.37 g/mol
LogP0.87
Rot. Bonds4

About (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide

(Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide (PubChem CID 108842155) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide
PubChem CID108842155
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide
SMILESCC(=O)N1CCN(/C=C(/C#N)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H20N4O2/c1-14(22)21-9-7-20(8-10-21)13-16(11-18)17(23)19-12-15-5-3-2-4-6-15/h2-6,13H,7-10,12H2,1H3,(H,19,23)/b16-13-
InChIKeyLWEWZTXTZMKXCT-SSZFMOIBSA-N
XLogP0.87
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839567
(Z)-N-benzyl-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-enamide
CID 98369519
(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
CID 108842221
(Z)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 47086152
N-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enamide
CID 52501912
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-3-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839559
(Z)-2-cyano-3-(4-ethylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837495
(Z)-3-(azepan-1-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837414
(Z)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840967
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-morpholin-4-ylprop-2-enamide
CID 108839574
(Z)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 98344666

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide (CID 108842155) is (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide is CC(=O)N1CCN(/C=C(/C#N)C(=O)NCc2ccccc2)CC1.
What is the InChIKey of (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide?
The InChIKey is LWEWZTXTZMKXCT-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-14(22)21-9-7-20(8-10-21)13-16(11-18)17(23)19-12-15-5-3-2-4-6-15/h2-6,13H,7-10,12H2,1H3,(H,19,23)/b16-13-.
What are the key properties of (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide?
(Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide is sourced from PubChem (CID 108842155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).