N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide

C24H31N5O2 — CID 126466656

About N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126466656) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 126466656
• Molecular Formula: C24H31N5O2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(C(=O)Cn1cncn1)CC2
• InChI: InChI=1S/C24H31N5O2/c30-21(15-29-18-25-17-27-29)28-12-10-23(11-13-28)14-20(23)22(31)26-16-24(8-4-5-9-24)19-6-2-1-3-7-19/h1-3,6-7,17-18,20H,4-5,8-16H2,(H,26,31)
• InChIKey: MSWZEWMNYNUPEE-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126466656) is N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(C(=O)Cn1cncn1)CC2.

What is the InChIKey of N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is MSWZEWMNYNUPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-21(15-29-18-25-17-27-29)28-12-10-23(11-13-28)14-20(23)22(31)26-16-24(8-4-5-9-24)19-6-2-1-3-7-19/h1-3,6-7,17-18,20H,4-5,8-16H2,(H,26,31).

What are the key properties of N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide?

N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126466656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).