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

C27H41N3O3 — CID 130202877

IUPAC1-(cyclobutylmethyl)-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)N2CC1CCC1
InChIInChI=1S/C27H41N3O3/c1-28(2)27(23-9-4-3-5-10-23)13-11-25(12-14-27)20-29(21-26(32)15-17-33-18-16-26)24(31)30(25)19-22-7-6-8-22/h3-5,9-10,22,32H,6-8,11-21H2,1-2H3
InChIKeyFRRFSIICRQBKCH-UHFFFAOYSA-N
MW455.64 g/mol
LogP3.84
Rot. Bonds6

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202877) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202877
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name1-(cyclobutylmethyl)-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)N2CC1CCC1
InChIInChI=1S/C27H41N3O3/c1-28(2)27(23-9-4-3-5-10-23)13-11-25(12-14-27)20-29(21-26(32)15-17-33-18-16-26)24(31)30(25)19-22-7-6-8-22/h3-5,9-10,22,32H,6-8,11-21H2,1-2H3
InChIKeyFRRFSIICRQBKCH-UHFFFAOYSA-N
XLogP3.84
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1302
CID 130200509
US10807989, Example SC_1159
CID 130200530
US10807989, Example SC_1062
CID 130200577
US10807989, Example SC_1350
CID 130200638
US10807989, Example SC_1063
CID 130200643
US10807989, Example SC_1024
CID 130200648
US10807989, Example SC_1320
CID 130200663
US10807989, Example SC_1304
CID 130200696
US10807989, Example SC_1355
CID 130200710
US10807989, Example SC_1209
CID 130200758
US10793528, Example SC_5002
CID 130200847

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202877) is 1-(cyclobutylmethyl)-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-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-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)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FRRFSIICRQBKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-28(2)27(23-9-4-3-5-10-23)13-11-25(12-14-27)20-29(21-26(32)15-17-33-18-16-26)24(31)30(25)19-22-7-6-8-22/h3-5,9-10,22,32H,6-8,11-21H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 455.64 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).