1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H42N4O3 — CID 130200686

IUPAC1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C)(O)CC1)C(=O)N2CC1CC1
InChIInChI=1S/C28H42N4O3/c1-26(35)15-17-30(18-16-26)24(33)20-31-21-27(32(25(31)34)19-22-9-10-22)11-13-28(14-12-27,29(2)3)23-7-5-4-6-8-23/h4-8,22,35H,9-21H2,1-3H3
InChIKeyCZCCOYQAKIQBPE-UHFFFAOYSA-N
MW482.67 g/mol
LogP3.28
Rot. Bonds6

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

1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200686) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200686
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C)(O)CC1)C(=O)N2CC1CC1
InChIInChI=1S/C28H42N4O3/c1-26(35)15-17-30(18-16-26)24(33)20-31-21-27(32(25(31)34)19-22-9-10-22)11-13-28(14-12-27,29(2)3)23-7-5-4-6-8-23/h4-8,22,35H,9-21H2,1-3H3
InChIKeyCZCCOYQAKIQBPE-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-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200686) is 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C)(O)CC1)C(=O)N2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is CZCCOYQAKIQBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-26(35)15-17-30(18-16-26)24(33)20-31-21-27(32(25(31)34)19-22-9-10-22)11-13-28(14-12-27,29(2)3)23-7-5-4-6-8-23/h4-8,22,35H,9-21H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-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-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).