4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide

C19H20ClN3O — CID 108903340

IUPAC4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN3O/c20-17-7-4-8-18(15-17)22-11-13-23(14-12-22)19(24)21-10-9-16-5-2-1-3-6-16/h1-10,15H,11-14H2,(H,21,24)/b10-9+
InChIKeyFSWNTVLSIXUCKH-MDZDMXLPSA-N
MW341.84 g/mol
LogP3.84
Rot. Bonds3

About 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide (PubChem CID 108903340) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
PubChem CID108903340
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN3O/c20-17-7-4-8-18(15-17)22-11-13-23(14-12-22)19(24)21-10-9-16-5-2-1-3-6-16/h1-10,15H,11-14H2,(H,21,24)/b10-9+
InChIKeyFSWNTVLSIXUCKH-MDZDMXLPSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907438
methyl 4-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoyl]piperazine-1-carboxylate
CID 108906785
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903368
4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908640
N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108906730
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
(E)-3-(4-aminophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 84552178
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide (CID 108903340) is 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide is O=C(N/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide?
The InChIKey is FSWNTVLSIXUCKH-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-17-7-4-8-18(15-17)22-11-13-23(14-12-22)19(24)21-10-9-16-5-2-1-3-6-16/h1-10,15H,11-14H2,(H,21,24)/b10-9+.
What are the key properties of 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108903340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).