methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate

C18H23N3O4 — CID 18946495

IUPACmethyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate
SMILESCOC(=O)C(C)(OC)n1c(C(=O)C2CCNCC2)nc2ccccc21
InChIInChI=1S/C18H23N3O4/c1-18(25-3,17(23)24-2)21-14-7-5-4-6-13(14)20-16(21)15(22)12-8-10-19-11-9-12/h4-7,12,19H,8-11H2,1-3H3
InChIKeyQPFSLBYGEKWCAI-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.71
Rot. Bonds5

About methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate

methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate (PubChem CID 18946495) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate
PubChem CID18946495
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate
SMILESCOC(=O)C(C)(OC)n1c(C(=O)C2CCNCC2)nc2ccccc21
InChIInChI=1S/C18H23N3O4/c1-18(25-3,17(23)24-2)21-14-7-5-4-6-13(14)20-16(21)15(22)12-8-10-19-11-9-12/h4-7,12,19H,8-11H2,1-3H3
InChIKeyQPFSLBYGEKWCAI-UHFFFAOYSA-N
XLogP1.71
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate?
The IUPAC name of methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate (CID 18946495) is methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate.
What is the SMILES notation for methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate?
The canonical SMILES for methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate is COC(=O)C(C)(OC)n1c(C(=O)C2CCNCC2)nc2ccccc21.
What is the InChIKey of methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate?
The InChIKey is QPFSLBYGEKWCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(25-3,17(23)24-2)21-14-7-5-4-6-13(14)20-16(21)15(22)12-8-10-19-11-9-12/h4-7,12,19H,8-11H2,1-3H3.
What are the key properties of methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate?
methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate has a molecular weight of 345.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propanoate is sourced from PubChem (CID 18946495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).