methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate

C17H25N3O5 — CID 55506189

IUPACmethyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)CCn2nc(C)cc2C)CC1
InChIInChI=1S/C17H25N3O5/c1-12-10-13(2)20(18-12)9-6-16(22)25-11-15(21)19-7-4-14(5-8-19)17(23)24-3/h10,14H,4-9,11H2,1-3H3
InChIKeySIHFSIWFBTZLTO-UHFFFAOYSA-N
MW351.40 g/mol
LogP0.84
Rot. Bonds6

About methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate

methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate (PubChem CID 55506189) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
PubChem CID55506189
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Namemethyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)CCn2nc(C)cc2C)CC1
InChIInChI=1S/C17H25N3O5/c1-12-10-13(2)20(18-12)9-6-16(22)25-11-15(21)19-7-4-14(5-8-19)17(23)24-3/h10,14H,4-9,11H2,1-3H3
InChIKeySIHFSIWFBTZLTO-UHFFFAOYSA-N
XLogP0.84
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55505462
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 54878873
[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 30237813
ethyl 1-[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 75371510
ethyl 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 39891416
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115775184
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55547413
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 79612728
ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 91945943
methyl 1-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]piperidine-4-carboxylate
CID 55318575
3-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 66262558
methyl 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 56790676

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate (CID 55506189) is methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)CCn2nc(C)cc2C)CC1.
What is the InChIKey of methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate?
The InChIKey is SIHFSIWFBTZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-12-10-13(2)20(18-12)9-6-16(22)25-11-15(21)19-7-4-14(5-8-19)17(23)24-3/h10,14H,4-9,11H2,1-3H3.
What are the key properties of methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55506189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).