3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H30N4O — CID 131722251

IUPAC3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1
InChIInChI=1S/C24H30N4O/c29-24-26-22-8-4-5-9-23(22)28(24)20-11-14-27(15-12-20)21-10-13-25-19(17-21)16-18-6-2-1-3-7-18/h1-9,19-21,25H,10-17H2,(H,26,29)/t19-,21+/m0/s1
InChIKeySYWVITLPMKPZPT-PZJWPPBQSA-N
MW390.53 g/mol
LogP3.33
Rot. Bonds4

About 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 131722251) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID131722251
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1
InChIInChI=1S/C24H30N4O/c29-24-26-22-8-4-5-9-23(22)28(24)20-11-14-27(15-12-20)21-10-13-25-19(17-21)16-18-6-2-1-3-7-18/h1-9,19-21,25H,10-17H2,(H,26,29)/t19-,21+/m0/s1
InChIKeySYWVITLPMKPZPT-PZJWPPBQSA-N
XLogP3.33
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 60531984
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen
CID 143592072
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 173295713
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 102281870
3-[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10476701

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 131722251) is 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1.
What is the InChIKey of 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SYWVITLPMKPZPT-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H30N4O/c29-24-26-22-8-4-5-9-23(22)28(24)20-11-14-27(15-12-20)21-10-13-25-19(17-21)16-18-6-2-1-3-7-18/h1-9,19-21,25H,10-17H2,(H,26,29)/t19-,21+/m0/s1.
What are the key properties of 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 390.53 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 131722251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).