ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate

C17H24ClN3O3 — CID 47091097

IUPACethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate
SMILESCCOC(=O)CCCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C17H24ClN3O3/c1-2-24-16(22)6-4-10-21-9-3-5-13(12-21)17(23)20-15-8-7-14(18)11-19-15/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,19,20,23)
InChIKeyPHPIJYWFUPRPKH-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.73
Rot. Bonds7

About ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate

ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate (PubChem CID 47091097) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate
PubChem CID47091097
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Nameethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate
SMILESCCOC(=O)CCCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C17H24ClN3O3/c1-2-24-16(22)6-4-10-21-9-3-5-13(12-21)17(23)20-15-8-7-14(18)11-19-15/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,19,20,23)
InChIKeyPHPIJYWFUPRPKH-UHFFFAOYSA-N
XLogP2.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate?
The IUPAC name of ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate (CID 47091097) is ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate is CCOC(=O)CCCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate?
The InChIKey is PHPIJYWFUPRPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-2-24-16(22)6-4-10-21-9-3-5-13(12-21)17(23)20-15-8-7-14(18)11-19-15/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,19,20,23).
What are the key properties of ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate?
ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate has a molecular weight of 353.85 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]butanoate is sourced from PubChem (CID 47091097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).