1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one

C30H42N6O — CID 130202950

About 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202950) has the molecular formula C30H42N6O and a molecular weight of 502.71 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 130202950
• Molecular Formula: C30H42N6O
• Molecular Weight: 502.71 g/mol
• Exact Mass: 502.34
• IUPAC Name: 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1CCN(c3cncnc3)CC1)C(=O)N2CC1CC1
• InChI: InChI=1S/C30H42N6O/c1-33(2)30(26-6-4-3-5-7-26)14-12-29(13-15-30)22-35(28(37)36(29)21-24-8-9-24)20-25-10-16-34(17-11-25)27-18-31-23-32-19-27/h3-7,18-19,23-25H,8-17,20-22H2,1-2H3
• InChIKey: FEADKIBOZKXXHU-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 55.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.71
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130202950) is 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1CCN(c3cncnc3)CC1)C(=O)N2CC1CC1.

What is the InChIKey of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is FEADKIBOZKXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N6O/c1-33(2)30(26-6-4-3-5-7-26)14-12-29(13-15-30)22-35(28(37)36(29)21-24-8-9-24)20-25-10-16-34(17-11-25)27-18-31-23-32-19-27/h3-7,18-19,23-25H,8-17,20-22H2,1-2H3.

What are the key properties of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?

1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 502.71 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).