N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide

C15H20ClN3O — CID 118029333

IUPACN-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-3-15(20)17-14-11-12(5-6-13(14)16)19-9-7-18(4-2)8-10-19/h3,5-6,11H,1,4,7-10H2,2H3,(H,17,20)
InChIKeySOPFYZFPCOEBTK-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.61
Rot. Bonds4

About N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide

N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide (PubChem CID 118029333) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
PubChem CID118029333
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-3-15(20)17-14-11-12(5-6-13(14)16)19-9-7-18(4-2)8-10-19/h3,5-6,11H,1,4,7-10H2,2H3,(H,17,20)
InChIKeySOPFYZFPCOEBTK-UHFFFAOYSA-N
XLogP2.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689
N-[2-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 146412540
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-4-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 118029214
2-chloro-4-(4-ethylpiperazin-1-yl)phenol
CID 71406560
N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,3,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 146412545
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 46807397
4-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 35893373
N-[2-[[6-[[(2,6-dichloro-3-ethyl-5-methoxyphenyl)-methylcarbamoyl]-methylamino]pyrimidin-4-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 160661175
N-[2-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)quinolin-2-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 155058557

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide (CID 118029333) is N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide?
The InChIKey is SOPFYZFPCOEBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-15(20)17-14-11-12(5-6-13(14)16)19-9-7-18(4-2)8-10-19/h3,5-6,11H,1,4,7-10H2,2H3,(H,17,20).
What are the key properties of N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide?
N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide has a molecular weight of 293.80 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 118029333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).