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

C20H24N4O4 — CID 45201699

IUPACethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Cn1cc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C20H24N4O4/c1-2-28-20(27)17-10-6-7-11-24(17)18(25)14-23-13-16(12-21-23)22-19(26)15-8-4-3-5-9-15/h3-5,8-9,12-13,17H,2,6-7,10-11,14H2,1H3,(H,22,26)
InChIKeyPWUNYHFJGRVZJT-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.08
Rot. Bonds6

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

ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate (PubChem CID 45201699) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate
PubChem CID45201699
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Nameethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Cn1cc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C20H24N4O4/c1-2-28-20(27)17-10-6-7-11-24(17)18(25)14-23-13-16(12-21-23)22-19(26)15-8-4-3-5-9-15/h3-5,8-9,12-13,17H,2,6-7,10-11,14H2,1H3,(H,22,26)
InChIKeyPWUNYHFJGRVZJT-UHFFFAOYSA-N
XLogP2.08
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate (CID 45201699) is ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)Cn1cc(NC(=O)c2ccccc2)cn1.
What is the InChIKey of ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is PWUNYHFJGRVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-28-20(27)17-10-6-7-11-24(17)18(25)14-23-13-16(12-21-23)22-19(26)15-8-4-3-5-9-15/h3-5,8-9,12-13,17H,2,6-7,10-11,14H2,1H3,(H,22,26).
What are the key properties of ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate?
ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 45201699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).