ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate

C16H25N3O3 — CID 110685572

IUPACethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C16H25N3O3/c1-4-22-16(21)13-7-9-19(10-8-13)15(20)6-5-14-11(2)17-18-12(14)3/h13H,4-10H2,1-3H3,(H,17,18)
InChIKeyGPOIEDFRBCSEAX-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.76
Rot. Bonds5

About ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 110685572) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate
PubChem CID110685572
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nameethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C16H25N3O3/c1-4-22-16(21)13-7-9-19(10-8-13)15(20)6-5-14-11(2)17-18-12(14)3/h13H,4-10H2,1-3H3,(H,17,18)
InChIKeyGPOIEDFRBCSEAX-UHFFFAOYSA-N
XLogP1.76
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 71688982
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]propan-1-one
CID 146103818
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 84613412
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one
CID 99822754
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 125025151
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-(5-bromopentanoyl)piperidine-4-carboxylate
CID 114014584
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate (CID 110685572) is ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1.
What is the InChIKey of ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate?
The InChIKey is GPOIEDFRBCSEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-22-16(21)13-7-9-19(10-8-13)15(20)6-5-14-11(2)17-18-12(14)3/h13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 110685572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).