ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate

C18H23N3O3 — CID 40512693

IUPACethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H23N3O3/c1-2-24-18(23)13-6-5-11-21(12-13)17(22)10-9-16-19-14-7-3-4-8-15(14)20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyOGVQBSBCEBKKQP-CYBMUJFWSA-N
MW329.40 g/mol
LogP2.30
Rot. Bonds5

About ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate

ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate (PubChem CID 40512693) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
PubChem CID40512693
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H23N3O3/c1-2-24-18(23)13-6-5-11-21(12-13)17(22)10-9-16-19-14-7-3-4-8-15(14)20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyOGVQBSBCEBKKQP-CYBMUJFWSA-N
XLogP2.30
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[N'-[3-(1H-benzimidazol-2-yl)propyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994143
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785
4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136722535
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
3-[(3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95218585
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 125017351
ethyl 1-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-3-carboxylate
CID 84565211
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 92627755
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124951832
3-(1H-benzimidazol-2-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 42653271

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate (CID 40512693) is ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate?
The InChIKey is OGVQBSBCEBKKQP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-24-18(23)13-6-5-11-21(12-13)17(22)10-9-16-19-14-7-3-4-8-15(14)20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate?
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 40512693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).