4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide

C15H18ClN3O2 — CID 108908348

IUPAC4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)N/C=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O2/c1-12(20)18-8-10-19(11-9-18)15(21)17-7-6-13-2-4-14(16)5-3-13/h2-7H,8-11H2,1H3,(H,17,21)/b7-6+
InChIKeyDFEGDWLJUHECRQ-VOTSOKGWSA-N
MW307.78 g/mol
LogP2.18
Rot. Bonds2

About 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide

4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide (PubChem CID 108908348) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
PubChem CID108908348
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)N/C=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3O2/c1-12(20)18-8-10-19(11-9-18)15(21)17-7-6-13-2-4-14(16)5-3-13/h2-7H,8-11H2,1H3,(H,17,21)/b7-6+
InChIKeyDFEGDWLJUHECRQ-VOTSOKGWSA-N
XLogP2.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908640
N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108908321
4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907438
4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903340
methyl 4-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoyl]piperazine-1-carboxylate
CID 108906785
N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
CID 108908063
ethane;N-[(E)-2-(4-fluorophenyl)ethenyl]-4-formylpiperazine-1-carboxamide;propane
CID 145287461
4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108905426
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903368
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907475
N-[(E)-2-(3-methylphenyl)ethenyl]azepane-1-carboxamide
CID 108905455
4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
CID 108907226

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide (CID 108908348) is 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)N/C=C/c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide?
The InChIKey is DFEGDWLJUHECRQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-12(20)18-8-10-19(11-9-18)15(21)17-7-6-13-2-4-14(16)5-3-13/h2-7H,8-11H2,1H3,(H,17,21)/b7-6+.
What are the key properties of 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide?
4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108908348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).