4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide

C17H24N4O2 — CID 119835419

IUPAC4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCCn2c(C)nc3ccccc32)CCNCC1
InChIInChI=1S/C17H24N4O2/c1-13-20-14-5-3-4-6-15(14)21(13)12-11-19-16(22)17(23-2)7-9-18-10-8-17/h3-6,18H,7-12H2,1-2H3,(H,19,22)
InChIKeyXCSZVQCOTWZITJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.23
Rot. Bonds5

About 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide

4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 119835419) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID119835419
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCCn2c(C)nc3ccccc32)CCNCC1
InChIInChI=1S/C17H24N4O2/c1-13-20-14-5-3-4-6-15(14)21(13)12-11-19-16(22)17(23-2)7-9-18-10-8-17/h3-6,18H,7-12H2,1-2H3,(H,19,22)
InChIKeyXCSZVQCOTWZITJ-UHFFFAOYSA-N
XLogP1.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide (CID 119835419) is 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide is COC1(C(=O)NCCn2c(C)nc3ccccc32)CCNCC1.
What is the InChIKey of 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is XCSZVQCOTWZITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-20-14-5-3-4-6-15(14)21(13)12-11-19-16(22)17(23-2)7-9-18-10-8-17/h3-6,18H,7-12H2,1-2H3,(H,19,22).
What are the key properties of 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide?
4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119835419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).