N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C25H34N4O4 — CID 55892072

IUPACN-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cccc(C(=O)N3CCCCC3)c1)C2=O
InChIInChI=1S/C25H34N4O4/c1-17-13-24(2,3)16-25(14-17)22(32)29(23(33)27-25)15-20(30)26-19-9-7-8-18(12-19)21(31)28-10-5-4-6-11-28/h7-9,12,17H,4-6,10-11,13-16H2,1-3H3,(H,26,30)(H,27,33)
InChIKeyJITVYCCYVQFSOW-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.39
Rot. Bonds4

About N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55892072) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55892072
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC NameN-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cccc(C(=O)N3CCCCC3)c1)C2=O
InChIInChI=1S/C25H34N4O4/c1-17-13-24(2,3)16-25(14-17)22(32)29(23(33)27-25)15-20(30)26-19-9-7-8-18(12-19)21(31)28-10-5-4-6-11-28/h7-9,12,17H,4-6,10-11,13-16H2,1-3H3,(H,26,30)(H,27,33)
InChIKeyJITVYCCYVQFSOW-UHFFFAOYSA-N
XLogP3.39
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzamide
CID 55529339
N-(3-ethynylphenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46515137
N-[3-(1H-pyrazol-5-yl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51940259
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-(3,5-dimethylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7960983
N-(2-piperidin-1-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25333245
methyl 4-[[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7741274
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7915218
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43008246
N-(3-chloro-4-methoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7934827
N-[4-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7962016

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55892072) is N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cccc(C(=O)N3CCCCC3)c1)C2=O.
What is the InChIKey of N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is JITVYCCYVQFSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-17-13-24(2,3)16-25(14-17)22(32)29(23(33)27-25)15-20(30)26-19-9-7-8-18(12-19)21(31)28-10-5-4-6-11-28/h7-9,12,17H,4-6,10-11,13-16H2,1-3H3,(H,26,30)(H,27,33).
What are the key properties of N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 454.57 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidine-1-carbonyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55892072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).