ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate

C11H18ClNO3 — CID 24700551

IUPACethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C11H18ClNO3/c1-2-16-11(15)9-4-3-7-13(8-9)10(14)5-6-12/h9H,2-8H2,1H3
InChIKeyLXSUGDBEEBUXIU-UHFFFAOYSA-N
MW247.72 g/mol
LogP1.42
Rot. Bonds4

About ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate

ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate (PubChem CID 24700551) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
PubChem CID24700551
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Nameethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C11H18ClNO3/c1-2-16-11(15)9-4-3-7-13(8-9)10(14)5-6-12/h9H,2-8H2,1H3
InChIKeyLXSUGDBEEBUXIU-UHFFFAOYSA-N
XLogP1.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid
CID 166771606
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate (CID 24700551) is ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCCl)C1.
What is the InChIKey of ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate?
The InChIKey is LXSUGDBEEBUXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO3/c1-2-16-11(15)9-4-3-7-13(8-9)10(14)5-6-12/h9H,2-8H2,1H3.
What are the key properties of ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate?
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate has a molecular weight of 247.72 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 24700551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).