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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Related Compounds

4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
CID 119889945
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119946260
1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835380
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643
methyl 2-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]propanoate
CID 91659946
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344

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).