methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate

C20H30N2O3 — CID 14873775

IUPACmethyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCCCC(=O)OC)CC1
InChIInChI=1S/C20H30N2O3/c1-3-19(23)22(17-9-5-4-6-10-17)18-12-15-21(16-13-18)14-8-7-11-20(24)25-2/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3
InChIKeyKCPUYXSCVVOKQY-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.24
Rot. Bonds8

About methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate

methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate (PubChem CID 14873775) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate
PubChem CID14873775
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namemethyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCCCC(=O)OC)CC1
InChIInChI=1S/C20H30N2O3/c1-3-19(23)22(17-9-5-4-6-10-17)18-12-15-21(16-13-18)14-8-7-11-20(24)25-2/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3
InChIKeyKCPUYXSCVVOKQY-UHFFFAOYSA-N
XLogP3.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate 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 methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate?
The IUPAC name of methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate (CID 14873775) is methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate.
What is the SMILES notation for methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate?
The canonical SMILES for methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate is CCC(=O)N(c1ccccc1)C1CCN(CCCCC(=O)OC)CC1.
What is the InChIKey of methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate?
The InChIKey is KCPUYXSCVVOKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-19(23)22(17-9-5-4-6-10-17)18-12-15-21(16-13-18)14-8-7-11-20(24)25-2/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3.
What are the key properties of methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate?
methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate has a molecular weight of 346.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate is sourced from PubChem (CID 14873775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).