2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate

C15H18Cl2N2O3 — CID 108559884

IUPAC2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)OCCCl)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H18Cl2N2O3/c16-6-9-22-15(21)19-7-4-13(5-8-19)18-14(20)11-2-1-3-12(17)10-11/h1-3,10,13H,4-9H2,(H,18,20)
InChIKeyKIHZWWBNYWXDHK-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.91
Rot. Bonds4

About 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate

2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108559884) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate
PubChem CID108559884
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)OCCCl)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H18Cl2N2O3/c16-6-9-22-15(21)19-7-4-13(5-8-19)18-14(20)11-2-1-3-12(17)10-11/h1-3,10,13H,4-9H2,(H,18,20)
InChIKeyKIHZWWBNYWXDHK-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
CID 108561509
prop-2-enyl (3R)-3-[(3-chlorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 129047500
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate (CID 108559884) is 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate is O=C(NC1CCN(C(=O)OCCCl)CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is KIHZWWBNYWXDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-6-9-22-15(21)19-7-4-13(5-8-19)18-14(20)11-2-1-3-12(17)10-11/h1-3,10,13H,4-9H2,(H,18,20).
What are the key properties of 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate?
2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 345.23 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108559884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).