methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate

C18H26N2O3 — CID 14873741

IUPACmethyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C18H26N2O3/c1-3-17(21)20(15-7-5-4-6-8-15)16-9-12-19(13-10-16)14-11-18(22)23-2/h4-8,16H,3,9-14H2,1-2H3
InChIKeyFRQJWUGVRICENW-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.46
Rot. Bonds6

About methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate

methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate (PubChem CID 14873741) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate
PubChem CID14873741
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C18H26N2O3/c1-3-17(21)20(15-7-5-4-6-8-15)16-9-12-19(13-10-16)14-11-18(22)23-2/h4-8,16H,3,9-14H2,1-2H3
InChIKeyFRQJWUGVRICENW-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate 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 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate (CID 14873741) is methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate is CCC(=O)N(c1ccccc1)C1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate?
The InChIKey is FRQJWUGVRICENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-17(21)20(15-7-5-4-6-8-15)16-9-12-19(13-10-16)14-11-18(22)23-2/h4-8,16H,3,9-14H2,1-2H3.
What are the key properties of methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate?
methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate has a molecular weight of 318.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate is sourced from PubChem (CID 14873741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).