2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C23H32N4O5S — CID 43027565

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cc2)C1
InChIInChI=1S/C23H32N4O5S/c1-17-7-6-14-26(15-17)33(31,32)19-10-8-18(9-11-19)24-20(28)16-27-21(29)23(25(2)22(27)30)12-4-3-5-13-23/h8-11,17H,3-7,12-16H2,1-2H3,(H,24,28)
InChIKeyAGVMFQLXZSXVPV-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.64
Rot. Bonds5

About 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 43027565) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID43027565
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cc2)C1
InChIInChI=1S/C23H32N4O5S/c1-17-7-6-14-26(15-17)33(31,32)19-10-8-18(9-11-19)24-20(28)16-27-21(29)23(25(2)22(27)30)12-4-3-5-13-23/h8-11,17H,3-7,12-16H2,1-2H3,(H,24,28)
InChIKeyAGVMFQLXZSXVPV-UHFFFAOYSA-N
XLogP2.64
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070576
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
3-(1,3-dioxoisoindol-2-yl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 40786037
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4793877
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34947284
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide
CID 24501053
2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958298
2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 94070615
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 43027565) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cc2)C1.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is AGVMFQLXZSXVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-17-7-6-14-26(15-17)33(31,32)19-10-8-18(9-11-19)24-20(28)16-27-21(29)23(25(2)22(27)30)12-4-3-5-13-23/h8-11,17H,3-7,12-16H2,1-2H3,(H,24,28).
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 43027565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).