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

C28H42N4O3 — CID 130200643

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCCC(O)C1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H42N4O3/c1-29(2)28(23-10-4-3-5-11-23)15-13-27(14-16-28)21-31(26(35)32(27)18-22-8-6-9-22)20-25(34)30-17-7-12-24(33)19-30/h3-5,10-11,22,24,33H,6-9,12-21H2,1-2H3
InChIKeyUFTITLNHRZVDEX-UHFFFAOYSA-N
MW482.67 g/mol
LogP3.28
Rot. Bonds6

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200643) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200643
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCCC(O)C1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H42N4O3/c1-29(2)28(23-10-4-3-5-11-23)15-13-27(14-16-28)21-31(26(35)32(27)18-22-8-6-9-22)20-25(34)30-17-7-12-24(33)19-30/h3-5,10-11,22,24,33H,6-9,12-21H2,1-2H3
InChIKeyUFTITLNHRZVDEX-UHFFFAOYSA-N
XLogP3.28
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200643) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCCC(O)C1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UFTITLNHRZVDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-29(2)28(23-10-4-3-5-11-23)15-13-27(14-16-28)21-31(26(35)32(27)18-22-8-6-9-22)20-25(34)30-17-7-12-24(33)19-30/h3-5,10-11,22,24,33H,6-9,12-21H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 482.67 g/mol, XLogP of 3.28, 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-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).