1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide

C20H18Cl2N4O4 — CID 126011423

IUPAC1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H18Cl2N4O4/c21-15-4-5-17(18(22)11-15)20(28)25-8-6-14(7-9-25)19(27)24-23-12-13-2-1-3-16(10-13)26(29)30/h1-5,10-12,14H,6-9H2,(H,24,27)/b23-12-
InChIKeyDTXNWFPBJHCOBR-FMCGGJTJSA-N
MW449.29 g/mol
LogP3.90
Rot. Bonds5

About 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide

1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126011423) has the molecular formula C20H18Cl2N4O4 and a molecular weight of 449.29 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126011423
Molecular FormulaC20H18Cl2N4O4
Molecular Weight449.29 g/mol
Exact Mass448.07
IUPAC Name1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H18Cl2N4O4/c21-15-4-5-17(18(22)11-15)20(28)25-8-6-14(7-9-25)19(27)24-23-12-13-2-1-3-16(10-13)26(29)30/h1-5,10-12,14H,6-9H2,(H,24,27)/b23-12-
InChIKeyDTXNWFPBJHCOBR-FMCGGJTJSA-N
XLogP3.90
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorobenzoyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011037
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010670
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126010821
N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420088
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013121
N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
CID 139230612
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013779
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014066
1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014303

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide (CID 126011423) is 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is DTXNWFPBJHCOBR-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4/c21-15-4-5-17(18(22)11-15)20(28)25-8-6-14(7-9-25)19(27)24-23-12-13-2-1-3-16(10-13)26(29)30/h1-5,10-12,14H,6-9H2,(H,24,27)/b23-12-.
What are the key properties of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide?
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 449.29 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126011423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).