N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

C20H28N4O4S — CID 5307435

IUPACN-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1
InChIInChI=1S/C20H28N4O4S/c1-14-19(15(2)23(3)22-14)29(26,27)24-10-8-17(9-11-24)20(25)21-13-16-6-5-7-18(12-16)28-4/h5-7,12,17H,8-11,13H2,1-4H3,(H,21,25)
InChIKeyCZYSJISPTYUFBW-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.76
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 5307435) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID5307435
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1
InChIInChI=1S/C20H28N4O4S/c1-14-19(15(2)23(3)22-14)29(26,27)24-10-8-17(9-11-24)20(25)21-13-16-6-5-7-18(12-16)28-4/h5-7,12,17H,8-11,13H2,1-4H3,(H,21,25)
InChIKeyCZYSJISPTYUFBW-UHFFFAOYSA-N
XLogP1.76
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 5307435) is N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CZYSJISPTYUFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-14-19(15(2)23(3)22-14)29(26,27)24-10-8-17(9-11-24)20(25)21-13-16-6-5-7-18(12-16)28-4/h5-7,12,17H,8-11,13H2,1-4H3,(H,21,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5307435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).