(5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H24N4O3 — CID 40812194

IUPAC(5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O
InChIInChI=1S/C20H24N4O3/c1-14-7-5-6-11-20(14)18(26)23(19(27)21-20)13-17(25)24-12-10-16(22-24)15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,21,27)/t14-,20+/m0/s1
InChIKeyQUMDSJALMKCQTQ-VBKZILBWSA-N
MW368.44 g/mol
LogP2.12
Rot. Bonds3

About (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 40812194) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID40812194
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O
InChIInChI=1S/C20H24N4O3/c1-14-7-5-6-11-20(14)18(26)23(19(27)21-20)13-17(25)24-12-10-16(22-24)15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,21,27)/t14-,20+/m0/s1
InChIKeyQUMDSJALMKCQTQ-VBKZILBWSA-N
XLogP2.12
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24605748
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778
phenacyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480580
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119423708
[(E)-3-phenylprop-2-enyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955713
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46511012
3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46669646
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955672
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55429659

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 40812194) is (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O.
What is the InChIKey of (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QUMDSJALMKCQTQ-VBKZILBWSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-7-5-6-11-20(14)18(26)23(19(27)21-20)13-17(25)24-12-10-16(22-24)15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,21,27)/t14-,20+/m0/s1.
What are the key properties of (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 40812194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).