2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide

C25H43N5O3 — CID 145261858

IUPAC2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N1CC2(CC(N3CCN(CC(=O)NC(C(=O)N4CCCC4C)C(C)(C)C)CC3)C2)C1
InChIInChI=1S/C25H43N5O3/c1-18-7-6-8-30(18)23(33)22(24(3,4)5)26-21(32)15-27-9-11-28(12-10-27)20-13-25(14-20)16-29(17-25)19(2)31/h18,20,22H,6-17H2,1-5H3,(H,26,32)
InChIKeyOXFIDUMHQCMDQB-UHFFFAOYSA-N
MW461.65 g/mol
LogP1.16
Rot. Bonds5

About 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide

2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide (PubChem CID 145261858) has the molecular formula C25H43N5O3 and a molecular weight of 461.65 g/mol. Its IUPAC name is 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide
PubChem CID145261858
Molecular FormulaC25H43N5O3
Molecular Weight461.65 g/mol
Exact Mass461.34
IUPAC Name2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N1CC2(CC(N3CCN(CC(=O)NC(C(=O)N4CCCC4C)C(C)(C)C)CC3)C2)C1
InChIInChI=1S/C25H43N5O3/c1-18-7-6-8-30(18)23(33)22(24(3,4)5)26-21(32)15-27-9-11-28(12-10-27)20-13-25(14-20)16-29(17-25)19(2)31/h18,20,22H,6-17H2,1-5H3,(H,26,32)
InChIKeyOXFIDUMHQCMDQB-UHFFFAOYSA-N
XLogP1.16
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide with MolForge

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Related Compounds

7-bromo-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]heptanamide
CID 166823528
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232
methyl 8-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]amino]-8-oxooctanoate
CID 170412054
2-(ethylamino)-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142517218
N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-[3-[3-fluoro-2-(fluoromethyl)propyl]-3-azaspiro[5.5]undecan-9-yl]acetamide
CID 178018651
N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 176699952
1-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-3-[1-(2-hydroxy-4,4-dimethylpiperidin-1-yl)-3,3-dimethylbutan-2-yl]urea
CID 143361317
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
N-[(2S)-3,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]-4-[4-(4-formylphenyl)phenoxy]butanamide
CID 146398361
N-[4-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]amino]-4-oxobutyl]-N-methyldec-9-ynamide
CID 167519604
1-[1-[[(2-tert-butyl-3,4-dioxocyclobuten-1-yl)amino]methyl]cyclohexyl]-3-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]urea
CID 143101488
1-(2-acetamido-3,3-dimethylbutanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540150

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide (CID 145261858) is 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide is CC(=O)N1CC2(CC(N3CCN(CC(=O)NC(C(=O)N4CCCC4C)C(C)(C)C)CC3)C2)C1.
What is the InChIKey of 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide?
The InChIKey is OXFIDUMHQCMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O3/c1-18-7-6-8-30(18)23(33)22(24(3,4)5)26-21(32)15-27-9-11-28(12-10-27)20-13-25(14-20)16-29(17-25)19(2)31/h18,20,22H,6-17H2,1-5H3,(H,26,32).
What are the key properties of 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide?
2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide has a molecular weight of 461.65 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 145261858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).