N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

C20H25FN4O2 — CID 24790448

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cn1
InChIInChI=1S/C20H25FN4O2/c1-2-25-13-16(12-23-25)11-22-20(27)17-6-7-19(26)24(14-17)9-8-15-4-3-5-18(21)10-15/h3-5,10,12-13,17H,2,6-9,11,14H2,1H3,(H,22,27)
InChIKeyKKTANIDNKOKKQJ-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.14
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790448) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790448
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cn1
InChIInChI=1S/C20H25FN4O2/c1-2-25-13-16(12-23-25)11-22-20(27)17-6-7-19(26)24(14-17)9-8-15-4-3-5-18(21)10-15/h3-5,10,12-13,17H,2,6-9,11,14H2,1H3,(H,22,27)
InChIKeyKKTANIDNKOKKQJ-UHFFFAOYSA-N
XLogP2.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24790448) is N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is CCn1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KKTANIDNKOKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-2-25-13-16(12-23-25)11-22-20(27)17-6-7-19(26)24(14-17)9-8-15-4-3-5-18(21)10-15/h3-5,10,12-13,17H,2,6-9,11,14H2,1H3,(H,22,27).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).