N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

C21H27FN4O2 — CID 24794196

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-14-19(15(2)25-24-14)8-10-23-21(28)17-6-7-20(27)26(13-17)11-9-16-4-3-5-18(22)12-16/h3-5,12,17H,6-11,13H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyKAHMOANFOXJNSL-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24794196) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24794196
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-14-19(15(2)25-24-14)8-10-23-21(28)17-6-7-20(27)26(13-17)11-9-16-4-3-5-18(22)12-16/h3-5,12,17H,6-11,13H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyKAHMOANFOXJNSL-UHFFFAOYSA-N
XLogP2.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24794196) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KAHMOANFOXJNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-14-19(15(2)25-24-14)8-10-23-21(28)17-6-7-20(27)26(13-17)11-9-16-4-3-5-18(22)12-16/h3-5,12,17H,6-11,13H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).