N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide

C25H28N4O3 — CID 42196348

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)[C@H]2CCCCO2)CC1
InChIInChI=1S/C25H28N4O3/c30-24(18-12-14-29(15-13-18)25(31)22-7-3-4-16-32-22)26-19-10-8-17(9-11-19)23-27-20-5-1-2-6-21(20)28-23/h1-2,5-6,8-11,18,22H,3-4,7,12-16H2,(H,26,30)(H,27,28)/t22-/m1/s1
InChIKeySORKIRDHVRYYCV-JOCHJYFZSA-N
MW432.52 g/mol
LogP3.98
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide (PubChem CID 42196348) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
PubChem CID42196348
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)[C@H]2CCCCO2)CC1
InChIInChI=1S/C25H28N4O3/c30-24(18-12-14-29(15-13-18)25(31)22-7-3-4-16-32-22)26-19-10-8-17(9-11-19)23-27-20-5-1-2-6-21(20)28-23/h1-2,5-6,8-11,18,22H,3-4,7,12-16H2,(H,26,30)(H,27,28)/t22-/m1/s1
InChIKeySORKIRDHVRYYCV-JOCHJYFZSA-N
XLogP3.98
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45236535
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568027
N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 42512495
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
CID 42290175
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 95215210
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093436

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide (CID 42196348) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)[C@H]2CCCCO2)CC1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is SORKIRDHVRYYCV-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-24(18-12-14-29(15-13-18)25(31)22-7-3-4-16-32-22)26-19-10-8-17(9-11-19)23-27-20-5-1-2-6-21(20)28-23/h1-2,5-6,8-11,18,22H,3-4,7,12-16H2,(H,26,30)(H,27,28)/t22-/m1/s1.
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42196348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).