ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate

C19H23N3O3 — CID 24817345

IUPACethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(24)19(11-15-7-4-3-5-8-15)9-6-10-22(14-19)17(23)16-12-20-21-13-16/h3-5,7-8,12-13H,2,6,9-11,14H2,1H3,(H,20,21)
InChIKeyBSASFVIKWAEYHE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.44
Rot. Bonds5

About ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate

ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 24817345) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID24817345
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(24)19(11-15-7-4-3-5-8-15)9-6-10-22(14-19)17(23)16-12-20-21-13-16/h3-5,7-8,12-13H,2,6,9-11,14H2,1H3,(H,20,21)
InChIKeyBSASFVIKWAEYHE-UHFFFAOYSA-N
XLogP2.44
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-benzyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxylate
CID 16188448
ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16189201
ethyl 3-benzyl-1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinecarboxylate
CID 24791155
ethyl 3-[(3-chlorophenyl)methyl]-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate
CID 24791594
ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-(2-fluorobenzyl)-3-piperidinecarboxylate
CID 45198201
[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 42188970
ethyl 3-(2-fluorobenzyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinecarboxylate
CID 45176024
ethyl 4-(cyclopropylmethyl)-1-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxylate
CID 126460206
ethyl (3R)-3-[(2,4-difluorophenyl)methyl]-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 25381638
ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 25381640
ethyl (3R)-1-(1-ethylpyrazole-4-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate
CID 25456275
ethyl (3S)-1-(1-ethylpyrazole-4-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate
CID 25456279

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate (CID 24817345) is ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is BSASFVIKWAEYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-18(24)19(11-15-7-4-3-5-8-15)9-6-10-22(14-19)17(23)16-12-20-21-13-16/h3-5,7-8,12-13H,2,6,9-11,14H2,1H3,(H,20,21).
What are the key properties of ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 24817345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).