1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H42N4O4 — CID 130201227

About 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201227) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 130201227
• Molecular Formula: C28H42N4O4
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.32
• IUPAC Name: 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CC[C@H](O)[C@@H](O)C1)C(=O)N2CC1CCC1
• InChI: InChI=1S/C28H42N4O4/c1-29(2)28(22-9-4-3-5-10-22)14-12-27(13-15-28)20-31(26(36)32(27)17-21-7-6-8-21)19-25(35)30-16-11-23(33)24(34)18-30/h3-5,9-10,21,23-24,33-34H,6-8,11-20H2,1-2H3/t23-,24-,27?,28?/m0/s1
• InChIKey: OKAGQFCKNYAIGK-OJKWPBSESA-N
• XLogP: 2.25
• TPSA: 87.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201227) is 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CC[C@H](O)[C@@H](O)C1)C(=O)N2CC1CCC1.

What is the InChIKey of 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is OKAGQFCKNYAIGK-OJKWPBSESA-N. The full InChI is InChI=1S/C28H42N4O4/c1-29(2)28(22-9-4-3-5-10-22)14-12-27(13-15-28)20-31(26(36)32(27)17-21-7-6-8-21)19-25(35)30-16-11-23(33)24(34)18-30/h3-5,9-10,21,23-24,33-34H,6-8,11-20H2,1-2H3/t23-,24-,27?,28?/m0/s1.

What are the key properties of 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 498.67 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).