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

C13H15N3O3 — CID 172726346

IUPAC(2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate
SMILESO=C(On1c(=O)[nH]c2ccccc21)N1CCCCC1
InChIInChI=1S/C13H15N3O3/c17-12-14-10-6-2-3-7-11(10)16(12)19-13(18)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2,(H,14,17)
InChIKeyHEVQAZXDTVDHMW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.36
Rot. Bonds1

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

(2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate (PubChem CID 172726346) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate
PubChem CID172726346
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate
SMILESO=C(On1c(=O)[nH]c2ccccc21)N1CCCCC1
InChIInChI=1S/C13H15N3O3/c17-12-14-10-6-2-3-7-11(10)16(12)19-13(18)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2,(H,14,17)
InChIKeyHEVQAZXDTVDHMW-UHFFFAOYSA-N
XLogP1.36
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
CID 70085815
3-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 72838610
3-(trifluoromethoxy)-1H-benzimidazol-2-one
CID 90716289
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59918926
(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate
CID 22711771
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 127494531
3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
CID 4899772

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate?
The IUPAC name of (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate (CID 172726346) is (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate.
What is the SMILES notation for (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate?
The canonical SMILES for (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate is O=C(On1c(=O)[nH]c2ccccc21)N1CCCCC1.
What is the InChIKey of (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate?
The InChIKey is HEVQAZXDTVDHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12-14-10-6-2-3-7-11(10)16(12)19-13(18)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2,(H,14,17).
What are the key properties of (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate?
(2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate is sourced from PubChem (CID 172726346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).