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

C21H27FN4O2 — CID 24819218

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-14-19(15(2)24-23-14)13-25(3)21(28)17-7-8-20(27)26(12-17)10-9-16-5-4-6-18(22)11-16/h4-6,11,17H,7-10,12-13H2,1-3H3,(H,23,24)
InChIKeyCXBYWIFYVNRLEL-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.61
Rot. Bonds6

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24819218) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24819218
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-14-19(15(2)24-23-14)13-25(3)21(28)17-7-8-20(27)26(12-17)10-9-16-5-4-6-18(22)11-16/h4-6,11,17H,7-10,12-13H2,1-3H3,(H,23,24)
InChIKeyCXBYWIFYVNRLEL-UHFFFAOYSA-N
XLogP2.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24819218) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is Cc1n[nH]c(C)c1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is CXBYWIFYVNRLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-14-19(15(2)24-23-14)13-25(3)21(28)17-7-8-20(27)26(12-17)10-9-16-5-4-6-18(22)11-16/h4-6,11,17H,7-10,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).