N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide

C20H22ClN3O — CID 6044072

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H22ClN3O/c21-18-11-9-16(10-12-18)15-22-23-20(25)19(17-7-3-1-4-8-17)24-13-5-2-6-14-24/h1,3-4,7-12,15,19H,2,5-6,13-14H2,(H,23,25)/b22-15-
InChIKeyOVZBRNJFFQZLFD-JCMHNJIXSA-N
MW355.87 g/mol
LogP4.02
Rot. Bonds5

About N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide

N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide (PubChem CID 6044072) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
PubChem CID6044072
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H22ClN3O/c21-18-11-9-16(10-12-18)15-22-23-20(25)19(17-7-3-1-4-8-17)24-13-5-2-6-14-24/h1,3-4,7-12,15,19H,2,5-6,13-14H2,(H,23,25)/b22-15-
InChIKeyOVZBRNJFFQZLFD-JCMHNJIXSA-N
XLogP4.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.02
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-[(E)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
CID 5380919
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
CID 126210762
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
CID 6021675
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-[(4-chlorophenyl)methylideneamino]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 3130697
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
(2R)-2-phenyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 94749994
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide (CID 6044072) is N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide is O=C(N/N=C\c1ccc(Cl)cc1)C(c1ccccc1)N1CCCCC1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide?
The InChIKey is OVZBRNJFFQZLFD-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-18-11-9-16(10-12-18)15-22-23-20(25)19(17-7-3-1-4-8-17)24-13-5-2-6-14-24/h1,3-4,7-12,15,19H,2,5-6,13-14H2,(H,23,25)/b22-15-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide?
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide has a molecular weight of 355.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 6044072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).