[(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate

C14H16Cl2N2O2 — CID 5395427

IUPAC[(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate
SMILESCC(=O)O/N=C(\c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C14H16Cl2N2O2/c1-10(19)20-17-14(18-7-3-2-4-8-18)12-6-5-11(15)9-13(12)16/h5-6,9H,2-4,7-8H2,1H3/b17-14+
InChIKeyDTTJFDFWPKZSGF-SAPNQHFASA-N
MW315.20 g/mol
LogP3.70
Rot. Bonds2

About [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate

[(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate (PubChem CID 5395427) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate
PubChem CID5395427
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name[(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate
SMILESCC(=O)O/N=C(\c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C14H16Cl2N2O2/c1-10(19)20-17-14(18-7-3-2-4-8-18)12-6-5-11(15)9-13(12)16/h5-6,9H,2-4,7-8H2,1H3/b17-14+
InChIKeyDTTJFDFWPKZSGF-SAPNQHFASA-N
XLogP3.70
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843840
[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate
CID 88744854
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,4-dichloro-5-piperidin-1-ylsulfonylbenzoate
CID 19292280
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
N-[(Z)-3-(azepan-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
CID 45069037
2-(2,4-dichlorobenzoyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 47273815
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270751
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
CID 42695501
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate?
The IUPAC name of [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate (CID 5395427) is [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate.
What is the SMILES notation for [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate?
The canonical SMILES for [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate is CC(=O)O/N=C(\c1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate?
The InChIKey is DTTJFDFWPKZSGF-SAPNQHFASA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-10(19)20-17-14(18-7-3-2-4-8-18)12-6-5-11(15)9-13(12)16/h5-6,9H,2-4,7-8H2,1H3/b17-14+.
What are the key properties of [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate?
[(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate has a molecular weight of 315.20 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate is sourced from PubChem (CID 5395427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).