2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide

C19H26N4O2 — CID 128697477

IUPAC2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide
SMILESCC[C@@H]1OCC[C@H]1NC(=O)N1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H26N4O2/c1-2-17-15(10-12-25-17)22-19(24)23-11-6-5-9-16(23)18-20-13-7-3-4-8-14(13)21-18/h3-4,7-8,15-17H,2,5-6,9-12H2,1H3,(H,20,21)(H,22,24)/t15-,16?,17+/m1/s1
InChIKeySJZGLXOYFXSFGY-SKQWJGTPSA-N
MW342.44 g/mol
LogP3.37
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide

2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide (PubChem CID 128697477) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide
PubChem CID128697477
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide
SMILESCC[C@@H]1OCC[C@H]1NC(=O)N1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H26N4O2/c1-2-17-15(10-12-25-17)22-19(24)23-11-6-5-9-16(23)18-20-13-7-3-4-8-14(13)21-18/h3-4,7-8,15-17H,2,5-6,9-12H2,1H3,(H,20,21)(H,22,24)/t15-,16?,17+/m1/s1
InChIKeySJZGLXOYFXSFGY-SKQWJGTPSA-N
XLogP3.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 128834600
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 97434031
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide
CID 44783424
2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide
CID 121239371
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 129366444
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
CID 128708203

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide (CID 128697477) is 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide is CC[C@@H]1OCC[C@H]1NC(=O)N1CCCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide?
The InChIKey is SJZGLXOYFXSFGY-SKQWJGTPSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-17-15(10-12-25-17)22-19(24)23-11-6-5-9-16(23)18-20-13-7-3-4-8-14(13)21-18/h3-4,7-8,15-17H,2,5-6,9-12H2,1H3,(H,20,21)(H,22,24)/t15-,16?,17+/m1/s1.
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide?
2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 128697477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).