N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide

C19H21ClN4O — CID 169366916

IUPACN'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21ClN4O/c20-14-18(21)22-16-6-8-17(9-7-16)23-10-12-24(13-11-23)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,22)
InChIKeyUDCVCPZCCWKPJM-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.88
Rot. Bonds4

About N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide

N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide (PubChem CID 169366916) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide
PubChem CID169366916
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21ClN4O/c20-14-18(21)22-16-6-8-17(9-7-16)23-10-12-24(13-11-23)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,22)
InChIKeyUDCVCPZCCWKPJM-UHFFFAOYSA-N
XLogP2.88
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[4-[4-(2-phenylbenzoyl)piperazin-1-yl]phenyl]ethanimidamide
CID 169368068
2-chloro-N'-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]ethanimidamide
CID 169367697
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
CID 167174450
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 5224012
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
2-chloro-N'-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]ethanimidamide
CID 169366671
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
2-chloro-N'-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]ethanimidamide
CID 169368127

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide?
The IUPAC name of N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide (CID 169366916) is N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide.
What is the SMILES notation for N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide?
The canonical SMILES for N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide is N/C(CCl)=N/c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide?
The InChIKey is UDCVCPZCCWKPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-14-18(21)22-16-6-8-17(9-7-16)23-10-12-24(13-11-23)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,21,22).
What are the key properties of N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide?
N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide has a molecular weight of 356.86 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-chloroethanimidamide is sourced from PubChem (CID 169366916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).