4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide

C25H30N6O4 — CID 46833373

IUPAC4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCCN3CCN(C(N)=O)CC3)c(-c3ccnn3C)c2)c1
InChIInChI=1S/C25H30N6O4/c1-29-22(8-9-27-29)21-17-19(28-24(32)18-4-3-5-20(16-18)34-2)6-7-23(21)35-15-14-30-10-12-31(13-11-30)25(26)33/h3-9,16-17H,10-15H2,1-2H3,(H2,26,33)(H,28,32)
InChIKeyUQDCPKVBJSRYAA-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.42
Rot. Bonds8

About 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide

4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide (PubChem CID 46833373) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide
PubChem CID46833373
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCCN3CCN(C(N)=O)CC3)c(-c3ccnn3C)c2)c1
InChIInChI=1S/C25H30N6O4/c1-29-22(8-9-27-29)21-17-19(28-24(32)18-4-3-5-20(16-18)34-2)6-7-23(21)35-15-14-30-10-12-31(13-11-30)25(26)33/h3-9,16-17H,10-15H2,1-2H3,(H2,26,33)(H,28,32)
InChIKeyUQDCPKVBJSRYAA-UHFFFAOYSA-N
XLogP2.42
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide (CID 46833373) is 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide is COc1cccc(C(=O)Nc2ccc(OCCN3CCN(C(N)=O)CC3)c(-c3ccnn3C)c2)c1.
What is the InChIKey of 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide?
The InChIKey is UQDCPKVBJSRYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-29-22(8-9-27-29)21-17-19(28-24(32)18-4-3-5-20(16-18)34-2)6-7-23(21)35-15-14-30-10-12-31(13-11-30)25(26)33/h3-9,16-17H,10-15H2,1-2H3,(H2,26,33)(H,28,32).
What are the key properties of 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide?
4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(3-methoxybenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 46833373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).