N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide

C18H30N4O3 — CID 72880511

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C(=O)COC)C2)c1C
InChIInChI=1S/C18H30N4O3/c1-5-22-14(3)16(13(2)20-22)8-9-19-18(24)15-7-6-10-21(11-15)17(23)12-25-4/h15H,5-12H2,1-4H3,(H,19,24)
InChIKeyQTVFIUQTPLQTFX-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.06
Rot. Bonds7

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 72880511) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID72880511
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(C(=O)COC)C2)c1C
InChIInChI=1S/C18H30N4O3/c1-5-22-14(3)16(13(2)20-22)8-9-19-18(24)15-7-6-10-21(11-15)17(23)12-25-4/h15H,5-12H2,1-4H3,(H,19,24)
InChIKeyQTVFIUQTPLQTFX-UHFFFAOYSA-N
XLogP1.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 72880511) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is CCn1nc(C)c(CCNC(=O)C2CCCN(C(=O)COC)C2)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is QTVFIUQTPLQTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-22-14(3)16(13(2)20-22)8-9-19-18(24)15-7-6-10-21(11-15)17(23)12-25-4/h15H,5-12H2,1-4H3,(H,19,24).
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 72880511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).