2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride

C15H20ClN3O3 — CID 70085815

IUPAC2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H19N3O3.ClH/c19-14-16-12-6-2-3-7-13(12)18(14)15(20)21-11-10-17-8-4-1-5-9-17;/h2-3,6-7H,1,4-5,8-11H2,(H,16,19);1H
InChIKeyZCNIJAKBHOEZNL-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.22
Rot. Bonds3

About 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride

2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride (PubChem CID 70085815) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
PubChem CID70085815
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H19N3O3.ClH/c19-14-16-12-6-2-3-7-13(12)18(14)15(20)21-11-10-17-8-4-1-5-9-17;/h2-3,6-7H,1,4-5,8-11H2,(H,16,19);1H
InChIKeyZCNIJAKBHOEZNL-UHFFFAOYSA-N
XLogP2.22
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
CID 68841950
(2-oxo-3H-benzimidazol-1-yl) piperidine-1-carboxylate
CID 172726346
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate
CID 14762847
2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593
2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate
CID 70083708
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
benzyl 6-amino-2-oxo-3H-benzimidazole-1-carboxylate
CID 110724011

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride (CID 70085815) is 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCCCC1)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride?
The InChIKey is ZCNIJAKBHOEZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c19-14-16-12-6-2-3-7-13(12)18(14)15(20)21-11-10-17-8-4-1-5-9-17;/h2-3,6-7H,1,4-5,8-11H2,(H,16,19);1H.
What are the key properties of 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride?
2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride is sourced from PubChem (CID 70085815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).