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

C14H17N3O2 — CID 110404102

IUPACmethyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H17N3O2/c1-19-14(18)17-8-4-5-10(9-17)13-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyCLYGMDGQTMUMEU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.51
Rot. Bonds1

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

methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate (PubChem CID 110404102) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
PubChem CID110404102
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H17N3O2/c1-19-14(18)17-8-4-5-10(9-17)13-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyCLYGMDGQTMUMEU-UHFFFAOYSA-N
XLogP2.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 55696056

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate (CID 110404102) is methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate is COC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is CLYGMDGQTMUMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-14(18)17-8-4-5-10(9-17)13-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16).
What are the key properties of methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate?
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 110404102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).