N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide

C18H22N4O3 — CID 146140217

IUPACN-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCOc1ccccc1-c1[nH]nc(NC(=O)C2CCCC(=O)N2C)c1C
InChIInChI=1S/C18H22N4O3/c1-11-16(12-7-4-5-9-14(12)25-3)20-21-17(11)19-18(24)13-8-6-10-15(23)22(13)2/h4-5,7,9,13H,6,8,10H2,1-3H3,(H2,19,20,21,24)
InChIKeyCYDSINYCYNZDLW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.34
Rot. Bonds4

About N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide

N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 146140217) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID146140217
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCOc1ccccc1-c1[nH]nc(NC(=O)C2CCCC(=O)N2C)c1C
InChIInChI=1S/C18H22N4O3/c1-11-16(12-7-4-5-9-14(12)25-3)20-21-17(11)19-18(24)13-8-6-10-15(23)22(13)2/h4-5,7,9,13H,6,8,10H2,1-3H3,(H2,19,20,21,24)
InChIKeyCYDSINYCYNZDLW-UHFFFAOYSA-N
XLogP2.34
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide (CID 146140217) is N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide is COc1ccccc1-c1[nH]nc(NC(=O)C2CCCC(=O)N2C)c1C.
What is the InChIKey of N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is CYDSINYCYNZDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-16(12-7-4-5-9-14(12)25-3)20-21-17(11)19-18(24)13-8-6-10-15(23)22(13)2/h4-5,7,9,13H,6,8,10H2,1-3H3,(H2,19,20,21,24).
What are the key properties of N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide?
N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146140217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).