N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide

C19H31N5O4 — CID 55850667

IUPACN-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C19H31N5O4/c1-13(2)16(26)20-14-6-10-23(11-7-14)12-15(25)22-24-17(27)19(21-18(24)28)8-4-3-5-9-19/h13-14H,3-12H2,1-2H3,(H,20,26)(H,21,28)(H,22,25)
InChIKeyHTLZJGCQNOMWRL-UHFFFAOYSA-N
MW393.49 g/mol
LogP0.51
Rot. Bonds5

About N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide

N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 55850667) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID55850667
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC NameN-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C19H31N5O4/c1-13(2)16(26)20-14-6-10-23(11-7-14)12-15(25)22-24-17(27)19(21-18(24)28)8-4-3-5-9-19/h13-14H,3-12H2,1-2H3,(H,20,26)(H,21,28)(H,22,25)
InChIKeyHTLZJGCQNOMWRL-UHFFFAOYSA-N
XLogP0.51
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55851050
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 46614028
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55626242
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 166190847
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24537010
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24558559
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 47529765
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 37385902
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8539357
N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737456

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide (CID 55850667) is N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is HTLZJGCQNOMWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-13(2)16(26)20-14-6-10-23(11-7-14)12-15(25)22-24-17(27)19(21-18(24)28)8-4-3-5-9-19/h13-14H,3-12H2,1-2H3,(H,20,26)(H,21,28)(H,22,25).
What are the key properties of N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 393.49 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 55850667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).