ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate

C15H23N3O3 — CID 52906692

IUPACethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-21-15(20)5-4-14(19)17-10-6-13(7-11-17)12-18-9-3-8-16-18/h3,8-9,13H,2,4-7,10-12H2,1H3
InChIKeyAXSBNMZZOIEKDC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.47
Rot. Bonds6

About ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate

ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate (PubChem CID 52906692) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
PubChem CID52906692
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-21-15(20)5-4-14(19)17-10-6-13(7-11-17)12-18-9-3-8-16-18/h3,8-9,13H,2,4-7,10-12H2,1H3
InChIKeyAXSBNMZZOIEKDC-UHFFFAOYSA-N
XLogP1.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
3-(benzenesulfonyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90495105
2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90494845
(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119880907
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
ethyl 4-oxo-5-pyrazol-1-ylpentanoate
CID 103484644
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate (CID 52906692) is ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate?
The InChIKey is AXSBNMZZOIEKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-21-15(20)5-4-14(19)17-10-6-13(7-11-17)12-18-9-3-8-16-18/h3,8-9,13H,2,4-7,10-12H2,1H3.
What are the key properties of ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate?
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate has a molecular weight of 293.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 52906692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).