N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide

C18H29N5O5S — CID 30620116

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H29N5O5S/c24-15(20-23-16(25)18(19-17(23)26)5-2-1-3-6-18)12-21-7-9-22(10-8-21)14-4-11-29(27,28)13-14/h14H,1-13H2,(H,19,26)(H,20,24)/t14-/m1/s1
InChIKeyFYICEOKQSRATGQ-CQSZACIVSA-N
MW427.53 g/mol
LogP-0.92
Rot. Bonds4

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide (PubChem CID 30620116) has the molecular formula C18H29N5O5S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide
PubChem CID30620116
Molecular FormulaC18H29N5O5S
Molecular Weight427.53 g/mol
Exact Mass427.19
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H29N5O5S/c24-15(20-23-16(25)18(19-17(23)26)5-2-1-3-6-18)12-21-7-9-22(10-8-21)14-4-11-29(27,28)13-14/h14H,1-13H2,(H,19,26)(H,20,24)/t14-/m1/s1
InChIKeyFYICEOKQSRATGQ-CQSZACIVSA-N
XLogP-0.92
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide (CID 30620116) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide is O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide?
The InChIKey is FYICEOKQSRATGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N5O5S/c24-15(20-23-16(25)18(19-17(23)26)5-2-1-3-6-18)12-21-7-9-22(10-8-21)14-4-11-29(27,28)13-14/h14H,1-13H2,(H,19,26)(H,20,24)/t14-/m1/s1.
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide has a molecular weight of 427.53 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30620116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).