1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride

C29H40ClN3O3 — CID 130202319

About 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride

1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 130202319) has the molecular formula C29H40ClN3O3 and a molecular weight of 514.11 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

• Compound Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride
• PubChem CID: 130202319
• Molecular Formula: C29H40ClN3O3
• Molecular Weight: 514.11 g/mol
• Exact Mass: 513.28
• IUPAC Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride
• SMILES: COc1ccc(CN2CC3(CCC(c4ccc(O)cc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1.Cl
• InChI: InChI=1S/C29H39N3O3.ClH/c1-30(2)29(24-9-11-25(33)12-10-24)17-15-28(16-18-29)21-31(19-23-7-13-26(35-3)14-8-23)27(34)32(28)20-22-5-4-6-22;/h7-14,22,33H,4-6,15-21H2,1-3H3;1H
• InChIKey: HIWOIGLUPIWZMN-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 56.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.11
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride?

The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride (CID 130202319) is 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride.

What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride?

The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride is COc1ccc(CN2CC3(CCC(c4ccc(O)cc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cc1.Cl.

What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride?

The InChIKey is HIWOIGLUPIWZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3.ClH/c1-30(2)29(24-9-11-25(33)12-10-24)17-15-28(16-18-29)21-31(19-23-7-13-26(35-3)14-8-23)27(34)32(28)20-22-5-4-6-22;/h7-14,22,33H,4-6,15-21H2,1-3H3;1H.

What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride?

1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 514.11 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 130202319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).