N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

C20H26N4O2 — CID 24790278

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1c(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)cnn1C
InChIInChI=1S/C20H26N4O2/c1-15-18(13-22-23(15)2)12-21-20(26)17-8-9-19(25)24(14-17)11-10-16-6-4-3-5-7-16/h3-7,13,17H,8-12,14H2,1-2H3,(H,21,26)
InChIKeyZWJOGRVQVQDUFB-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.83
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 24790278) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID24790278
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1c(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)cnn1C
InChIInChI=1S/C20H26N4O2/c1-15-18(13-22-23(15)2)12-21-20(26)17-8-9-19(25)24(14-17)11-10-16-6-4-3-5-7-16/h3-7,13,17H,8-12,14H2,1-2H3,(H,21,26)
InChIKeyZWJOGRVQVQDUFB-UHFFFAOYSA-N
XLogP1.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (CID 24790278) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is Cc1c(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is ZWJOGRVQVQDUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-18(13-22-23(15)2)12-21-20(26)17-8-9-19(25)24(14-17)11-10-16-6-4-3-5-7-16/h3-7,13,17H,8-12,14H2,1-2H3,(H,21,26).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).