methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

C19H25FN4O3 — CID 91042796

IUPACmethyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1N1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1
InChIInChI=1S/C19H25FN4O3/c1-27-19(26)23-10-3-2-7-16(23)22-11-8-13(9-12-22)24-15-6-4-5-14(20)17(15)21-18(24)25/h4-6,13,16H,2-3,7-12H2,1H3,(H,21,25)
InChIKeyCFVMIYRAGARXHT-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.68
Rot. Bonds2

About methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 91042796) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID91042796
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Namemethyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1N1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1
InChIInChI=1S/C19H25FN4O3/c1-27-19(26)23-10-3-2-7-16(23)22-11-8-13(9-12-22)24-15-6-4-5-14(20)17(15)21-18(24)25/h4-6,13,16H,2-3,7-12H2,1H3,(H,21,25)
InChIKeyCFVMIYRAGARXHT-UHFFFAOYSA-N
XLogP2.68
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 69091210
7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54340518
3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54325846
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117206134
6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54019352
3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-fluoro-1H-benzimidazol-2-one;hydrochloride
CID 67345221
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
tert-butyl 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate
CID 155679472

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate (CID 91042796) is methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate is COC(=O)N1CCCCC1N1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1.
What is the InChIKey of methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is CFVMIYRAGARXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-27-19(26)23-10-3-2-7-16(23)22-11-8-13(9-12-22)24-15-6-4-5-14(20)17(15)21-18(24)25/h4-6,13,16H,2-3,7-12H2,1H3,(H,21,25).
What are the key properties of methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 91042796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).