(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C16H20N2O3 — CID 131931832

IUPAC(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCOc1ccc(C[C@@H]2NC(=O)C3(CCCC3)NC2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-21-12-6-4-11(5-7-12)10-13-14(19)18-16(15(20)17-13)8-2-3-9-16/h4-7,13H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyBJBDQGHYCNGJQO-ZDUSSCGKSA-N
MW288.35 g/mol
LogP1.17
Rot. Bonds3

About (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 131931832) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID131931832
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCOc1ccc(C[C@@H]2NC(=O)C3(CCCC3)NC2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-21-12-6-4-11(5-7-12)10-13-14(19)18-16(15(20)17-13)8-2-3-9-16/h4-7,13H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyBJBDQGHYCNGJQO-ZDUSSCGKSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-difluorocyclobutyl)-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 167807020
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-(1H-imidazol-5-ylmethyl)-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 14185458
(3R,9S,12S,18S,21S,23S,28S)-9-(1-aminoethyl)-18-(1H-indol-3-ylmethyl)-12-[(4-methoxyphenyl)methyl]spiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-2,8,11,14,17,20-hexone
CID 53244869
(3S,8S,8aS)-8-amino-3-[(4-methoxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 26763183
3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 146373701
(8S,15S)-8-benzyl-N-[2-(4-methoxyphenyl)ethyl]-7,10,13,17-tetraoxospiro[2-oxa-6,9,12,16-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-11,1'-cyclopentane]-15-carboxamide
CID 133077314
(7S)-7-(2-methylpropyl)-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 11820437
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
CID 68809970
(2R,6'S)-6'-benzyl-4-methoxy-7-nitrospiro[1,3-dihydroindene-2,3'-piperazine]-2',5'-dione
CID 101483072
(6S,12S,16Z)-12-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methyl]spiro[2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-9,1'-cyclopentane]-7,10,13-trione
CID 134151524

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 131931832) is (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)NC2=O)cc1.
What is the InChIKey of (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is BJBDQGHYCNGJQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-12-6-4-11(5-7-12)10-13-14(19)18-16(15(20)17-13)8-2-3-9-16/h4-7,13H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 288.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 131931832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).