ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate

C18H23N3O3 — CID 3240762

IUPACethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H23N3O3/c1-2-24-18(23)13-9-11-21(12-10-13)17(22)8-7-16-19-14-5-3-4-6-15(14)20-16/h3-6,13H,2,7-12H2,1H3,(H,19,20)
InChIKeyLNHRWWAIQXVXAZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.30
Rot. Bonds5

About ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 3240762) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
PubChem CID3240762
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H23N3O3/c1-2-24-18(23)13-9-11-21(12-10-13)17(22)8-7-16-19-14-5-3-4-6-15(14)20-16/h3-6,13H,2,7-12H2,1H3,(H,19,20)
InChIKeyLNHRWWAIQXVXAZ-UHFFFAOYSA-N
XLogP2.30
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate 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 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate (CID 3240762) is ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate?
The InChIKey is LNHRWWAIQXVXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-24-18(23)13-9-11-21(12-10-13)17(22)8-7-16-19-14-5-3-4-6-15(14)20-16/h3-6,13H,2,7-12H2,1H3,(H,19,20).
What are the key properties of ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 3240762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).