ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate

C19H23N3O3 — CID 56901719

IUPACethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(23)13-16-5-3-4-12-22(16)19(24)15-8-6-14(7-9-15)17-10-11-20-21-17/h6-11,16H,2-5,12-13H2,1H3,(H,20,21)
InChIKeyVCVBAMBYTKTWGA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.02
Rot. Bonds5

About ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate

ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate (PubChem CID 56901719) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate
PubChem CID56901719
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-25-18(23)13-16-5-3-4-12-22(16)19(24)15-8-6-14(7-9-15)17-10-11-20-21-17/h6-11,16H,2-5,12-13H2,1H3,(H,20,21)
InChIKeyVCVBAMBYTKTWGA-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2R)-1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]acetate
CID 25458451
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide
CID 126442431
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 70780559
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
1-piperidin-1-yl-2-[4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-1-yl]ethanone
CID 72935900
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 56908194
[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 82044979
ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate
CID 70729052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate (CID 56901719) is ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate?
The InChIKey is VCVBAMBYTKTWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-18(23)13-16-5-3-4-12-22(16)19(24)15-8-6-14(7-9-15)17-10-11-20-21-17/h6-11,16H,2-5,12-13H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate?
ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate has a molecular weight of 341.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 56901719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).