3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide

C22H23N5O3 — CID 55697774

IUPAC3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H23N5O3/c28-21(23-16-6-3-7-17(13-16)27-11-12-30-22(27)29)26-10-4-5-15(14-26)20-24-18-8-1-2-9-19(18)25-20/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,23,28)(H,24,25)
InChIKeyQBRCPAKOKHMNQZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.93
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide

3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide (PubChem CID 55697774) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide
PubChem CID55697774
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H23N5O3/c28-21(23-16-6-3-7-17(13-16)27-11-12-30-22(27)29)26-10-4-5-15(14-26)20-24-18-8-1-2-9-19(18)25-20/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,23,28)(H,24,25)
InChIKeyQBRCPAKOKHMNQZ-UHFFFAOYSA-N
XLogP3.93
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
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3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
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(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
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3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
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3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide
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1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide (CID 55697774) is 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(N2CCOC2=O)c1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is QBRCPAKOKHMNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-21(23-16-6-3-7-17(13-16)27-11-12-30-22(27)29)26-10-4-5-15(14-26)20-24-18-8-1-2-9-19(18)25-20/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,23,28)(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide?
3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 55697774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).