ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate

C19H23N3O3 — CID 31763477

IUPACethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-19(24)16-8-10-21(11-9-16)18(23)12-15-13-20-22(14-15)17-6-4-3-5-7-17/h3-7,13-14,16H,2,8-12H2,1H3
InChIKeyGZSMHBIWKKFMOD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.22
Rot. Bonds5

About ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate (PubChem CID 31763477) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
PubChem CID31763477
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-19(24)16-8-10-21(11-9-16)18(23)12-15-13-20-22(14-15)17-6-4-3-5-7-17/h3-7,13-14,16H,2,8-12H2,1H3
InChIKeyGZSMHBIWKKFMOD-UHFFFAOYSA-N
XLogP2.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111157342
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 120815129
2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
CID 119400257
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 119635103
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
2-(1-phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166203581
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
ethyl 4-[[2-[2-(1-phenylpyrazol-4-yl)acetyl]oxyacetyl]amino]butanoate
CID 31022629
ethyl 1-[2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 8628629
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate (CID 31763477) is ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is GZSMHBIWKKFMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-19(24)16-8-10-21(11-9-16)18(23)12-15-13-20-22(14-15)17-6-4-3-5-7-17/h3-7,13-14,16H,2,8-12H2,1H3.
What are the key properties of ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 31763477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).