ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate

C14H21N3O3 — CID 110697880

IUPACethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2cnc[nH]2)C1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(19)11-4-3-7-17(9-11)13(18)6-5-12-8-15-10-16-12/h8,10-11H,2-7,9H2,1H3,(H,15,16)
InChIKeyJURQTJFGYOTFQM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.14
Rot. Bonds5

About ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate

ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate (PubChem CID 110697880) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
PubChem CID110697880
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2cnc[nH]2)C1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(19)11-4-3-7-17(9-11)13(18)6-5-12-8-15-10-16-12/h8,10-11H,2-7,9H2,1H3,(H,15,16)
InChIKeyJURQTJFGYOTFQM-UHFFFAOYSA-N
XLogP1.14
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(2-methyl-1,3-thiazol-4-yl)propanoyl]piperidine-3-carboxylate
CID 110678658
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
CID 110690844
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
ethyl 1-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-3-carboxylate
CID 84565211

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate (CID 110697880) is ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCc2cnc[nH]2)C1.
What is the InChIKey of ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate?
The InChIKey is JURQTJFGYOTFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-14(19)11-4-3-7-17(9-11)13(18)6-5-12-8-15-10-16-12/h8,10-11H,2-7,9H2,1H3,(H,15,16).
What are the key properties of ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 110697880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).