N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C25H36N4O4 — CID 41041475

IUPACN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc([C@H](CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)N2CCCCC2)cc1
InChIInChI=1S/C25H36N4O4/c1-27-24(32)29(23(31)25(27)13-5-3-6-14-25)18-22(30)26-17-21(28-15-7-4-8-16-28)19-9-11-20(33-2)12-10-19/h9-12,21H,3-8,13-18H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyXYHZXXKCNBRCJF-NRFANRHFSA-N
MW456.59 g/mol
LogP2.94
Rot. Bonds7

About N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 41041475) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID41041475
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc([C@H](CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)N2CCCCC2)cc1
InChIInChI=1S/C25H36N4O4/c1-27-24(32)29(23(31)25(27)13-5-3-6-14-25)18-22(30)26-17-21(28-15-7-4-8-16-28)19-9-11-20(33-2)12-10-19/h9-12,21H,3-8,13-18H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyXYHZXXKCNBRCJF-NRFANRHFSA-N
XLogP2.94
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 55329042
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
2-(2,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17422607

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 41041475) is N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc([C@H](CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is XYHZXXKCNBRCJF-NRFANRHFSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-27-24(32)29(23(31)25(27)13-5-3-6-14-25)18-22(30)26-17-21(28-15-7-4-8-16-28)19-9-11-20(33-2)12-10-19/h9-12,21H,3-8,13-18H2,1-2H3,(H,26,30)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 41041475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).