benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

C20H21N3O3 — CID 59578112

IUPACbenzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H21N3O3/c24-19-21-17-8-4-5-9-18(17)23(19)16-10-12-22(13-11-16)20(25)26-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,24)
InChIKeyYAIREAQWTGINDZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.30
Rot. Bonds3

About benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 59578112) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
PubChem CID59578112
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namebenzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H21N3O3/c24-19-21-17-8-4-5-9-18(17)23(19)16-10-12-22(13-11-16)20(25)26-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,24)
InChIKeyYAIREAQWTGINDZ-UHFFFAOYSA-N
XLogP3.30
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen
CID 143592072
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547652
[(2S)-2-(dibenzylamino)-2-phenylethyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547671
[2-(dibenzylamino)-2-phenylethyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177904
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[benzyl-[(3-phenylmethoxyphenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67178096
3-[benzyl-[(4-chlorophenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177534
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
2-[benzyl-[(E)-3-phenylprop-2-enyl]amino]ethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67179870
3-[benzyl-[(3-phenoxyphenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;hydrochloride
CID 67179874
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (CID 59578112) is benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is YAIREAQWTGINDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19-21-17-8-4-5-9-18(17)23(19)16-10-12-22(13-11-16)20(25)26-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,24).
What are the key properties of benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59578112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).