1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide

C27H26ClN3O3 — CID 126014303

IUPAC1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2)c1)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C27H26ClN3O3/c28-25-12-5-4-11-24(25)27(33)31-15-13-22(14-16-31)26(32)30-29-18-21-9-6-10-23(17-21)34-19-20-7-2-1-3-8-20/h1-12,17-18,22H,13-16,19H2,(H,30,32)/b29-18-
InChIKeyZBBSAJOOHGXKAH-MIXAMLLLSA-N
MW475.98 g/mol
LogP4.92
Rot. Bonds7

About 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126014303) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126014303
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2)c1)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C27H26ClN3O3/c28-25-12-5-4-11-24(25)27(33)31-15-13-22(14-16-31)26(32)30-29-18-21-9-6-10-23(17-21)34-19-20-7-2-1-3-8-20/h1-12,17-18,22H,13-16,19H2,(H,30,32)/b29-18-
InChIKeyZBBSAJOOHGXKAH-MIXAMLLLSA-N
XLogP4.92
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013121
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010670
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
N-[(3-phenylmethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3537489
1-(4-methoxybenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011033

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 126014303) is 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide is O=C(N/N=C\c1cccc(OCc2ccccc2)c1)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is ZBBSAJOOHGXKAH-MIXAMLLLSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c28-25-12-5-4-11-24(25)27(33)31-15-13-22(14-16-31)26(32)30-29-18-21-9-6-10-23(17-21)34-19-20-7-2-1-3-8-20/h1-12,17-18,22H,13-16,19H2,(H,30,32)/b29-18-.
What are the key properties of 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126014303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).