N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C25H30N4O4 — CID 45190290

About N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 45190290) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 45190290
• Molecular Formula: C25H30N4O4
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.23
• IUPAC Name: N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
• SMILES: O=C(Nc1ccnn1C1CCN(C(=O)C2CC23CCCCC3)CC1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C25H30N4O4/c30-23(17-4-5-20-21(14-17)33-16-32-20)27-22-6-11-26-29(22)18-7-12-28(13-8-18)24(31)19-15-25(19)9-2-1-3-10-25/h4-6,11,14,18-19H,1-3,7-10,12-13,15-16H2,(H,27,30)
• InChIKey: DHSZNKWVDQMQNK-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 45190290) is N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccnn1C1CCN(C(=O)C2CC23CCCCC3)CC1)c1ccc2c(c1)OCO2.

What is the InChIKey of N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is DHSZNKWVDQMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c30-23(17-4-5-20-21(14-17)33-16-32-20)27-22-6-11-26-29(22)18-7-12-28(13-8-18)24(31)19-15-25(19)9-2-1-3-10-25/h4-6,11,14,18-19H,1-3,7-10,12-13,15-16H2,(H,27,30).

What are the key properties of N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 45190290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).