(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

C20H21ClN2O — CID 878105

IUPAC(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H21ClN2O/c21-17-7-4-16(5-8-17)6-13-20(24)22-18-9-11-19(12-10-18)23-14-2-1-3-15-23/h4-13H,1-3,14-15H2,(H,22,24)/b13-6+
InChIKeyUOGHFLFAJSMKPK-AWNIVKPZSA-N
MW340.85 g/mol
LogP4.98
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 878105) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID878105
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H21ClN2O/c21-17-7-4-16(5-8-17)6-13-20(24)22-18-9-11-19(12-10-18)23-14-2-1-3-15-23/h4-13H,1-3,14-15H2,(H,22,24)/b13-6+
InChIKeyUOGHFLFAJSMKPK-AWNIVKPZSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4'-chloro-(1,1'-biphenyl)-2-yl)-2-hydroxypyridine-3-carboxamide
CID 132933455
N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
N-(4-Aminophenyl)-4-chlorobenzamide
CID 960654
(R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)urea
CID 9980155
N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104
N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxo-1-propen-1-YL]phenyl]-acetamide
CID 11743399
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 2670221
(2E)-N-(3-chlorophenyl)-3-phenylprop-2-enamide
CID 677915
N-(2-Chlorophenyl)cinnamamide
CID 765318
2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
CID 766168

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide (CID 878105) is (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is UOGHFLFAJSMKPK-AWNIVKPZSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-17-7-4-16(5-8-17)6-13-20(24)22-18-9-11-19(12-10-18)23-14-2-1-3-15-23/h4-13H,1-3,14-15H2,(H,22,24)/b13-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 340.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 878105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).