ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate

C17H21N3O3 — CID 110772416

IUPACethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)13-5-7-20(8-6-13)16(21)10-12-3-4-14-15(9-12)19-11-18-14/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,18,19)
InChIKeyRHOJGGAOGPHIHJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.91
Rot. Bonds4

About ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate (PubChem CID 110772416) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
PubChem CID110772416
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)13-5-7-20(8-6-13)16(21)10-12-3-4-14-15(9-12)19-11-18-14/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,18,19)
InChIKeyRHOJGGAOGPHIHJ-UHFFFAOYSA-N
XLogP1.91
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
methyl 4-[4-[2-(3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801390
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
ethyl 1-[2-(2-acetamido-1,3-benzothiazol-6-yl)acetyl]piperidine-4-carboxylate
CID 46289648
ethyl 1-[(4-oxo-3H-quinazolin-6-yl)carbamothioyl]piperidine-4-carboxylate
CID 135466781
2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 175654949
methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
CID 112531678
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814290
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate (CID 110772416) is ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is RHOJGGAOGPHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-23-17(22)13-5-7-20(8-6-13)16(21)10-12-3-4-14-15(9-12)19-11-18-14/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,18,19).
What are the key properties of ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 110772416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).