N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide

C18H19ClN4O — CID 132770474

IUPACN-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19ClN4O/c19-16-8-6-15(7-9-16)14-20-21-18(24)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,21,24)
InChIKeyHUJKWTJKDKBWDD-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.21
Rot. Bonds3

About N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide

N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide (PubChem CID 132770474) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide
PubChem CID132770474
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19ClN4O/c19-16-8-6-15(7-9-16)14-20-21-18(24)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,21,24)
InChIKeyHUJKWTJKDKBWDD-UHFFFAOYSA-N
XLogP3.21
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692809
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2477195
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
CID 6044072
N-[(E)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
CID 5380919
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692829
[3,5-bis[(E)-(diaminomethylhydrazinylidene)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 164810264
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide (CID 132770474) is N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide is O=C(NN=Cc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide?
The InChIKey is HUJKWTJKDKBWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-16-8-6-15(7-9-16)14-20-21-18(24)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide?
N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 132770474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).