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

C26H39N3O3 — CID 130202948

IUPAC1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCOCC1)C(=O)N2CC1CC1
InChIInChI=1S/C26H39N3O3/c1-27(2)26(22-6-4-3-5-7-22)12-10-24(11-13-26)19-28(20-25(31)14-16-32-17-15-25)23(30)29(24)18-21-8-9-21/h3-7,21,31H,8-20H2,1-2H3
InChIKeyLDVKVGFQULXUPJ-UHFFFAOYSA-N
MW441.62 g/mol
LogP3.45
Rot. Bonds6

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

1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202948) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202948
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCOCC1)C(=O)N2CC1CC1
InChIInChI=1S/C26H39N3O3/c1-27(2)26(22-6-4-3-5-7-22)12-10-24(11-13-26)19-28(20-25(31)14-16-32-17-15-25)23(30)29(24)18-21-8-9-21/h3-7,21,31H,8-20H2,1-2H3
InChIKeyLDVKVGFQULXUPJ-UHFFFAOYSA-N
XLogP3.45
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130200507
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CID 130200582
US10807989, Example SC_1347
CID 130200634
US10807989, Example SC_1063
CID 130200643
US10807989, Example SC_1361
CID 130200686
US10793528, Example SC_5017
CID 130200949
US10793528, Example SC_5076
CID 130201207
US10829480, Example SC_2177
CID 130202392
US10829480, Example SC_2174
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US10829480, Example SC_2124
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US10793556, Example SC_4022
CID 130202884
US10793556, Example SC_4007
CID 130202900

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202948) is 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCOCC1)C(=O)N2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is LDVKVGFQULXUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-27(2)26(22-6-4-3-5-7-22)12-10-24(11-13-26)19-28(20-25(31)14-16-32-17-15-25)23(30)29(24)18-21-8-9-21/h3-7,21,31H,8-20H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 441.62 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).