1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea

C23H32N6O3 — CID 26336813

IUPAC1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C23H32N6O3/c1-32-20-8-4-3-7-19(20)25-23(31)26-21-9-12-24-29(21)18-10-15-28(16-11-18)22(30)17-27-13-5-2-6-14-27/h3-4,7-9,12,18H,2,5-6,10-11,13-17H2,1H3,(H2,25,26,31)
InChIKeyWWYGOZMIKJPFNH-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.19
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 26336813) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID26336813
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C23H32N6O3/c1-32-20-8-4-3-7-19(20)25-23(31)26-21-9-12-24-29(21)18-10-15-28(16-11-18)22(30)17-27-13-5-2-6-14-27/h3-4,7-9,12,18H,2,5-6,10-11,13-17H2,1H3,(H2,25,26,31)
InChIKeyWWYGOZMIKJPFNH-UHFFFAOYSA-N
XLogP3.19
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 26336813) is 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea is COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is WWYGOZMIKJPFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-32-20-8-4-3-7-19(20)25-23(31)26-21-9-12-24-29(21)18-10-15-28(16-11-18)22(30)17-27-13-5-2-6-14-27/h3-4,7-9,12,18H,2,5-6,10-11,13-17H2,1H3,(H2,25,26,31).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 440.55 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 26336813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).