[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone

C25H37N3O — CID 141199608

IUPAC[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(CCN2CC3CNCC3C2)(c2ccccc2)CC1
InChIInChI=1S/C25H37N3O/c29-24(20-6-4-5-7-20)28-14-11-25(12-15-28,23-8-2-1-3-9-23)10-13-27-18-21-16-26-17-22(21)19-27/h1-3,8-9,20-22,26H,4-7,10-19H2
InChIKeyXGBFPJCUZRPKMG-UHFFFAOYSA-N
MW395.59 g/mol
LogP3.28
Rot. Bonds5

About [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone

[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone (PubChem CID 141199608) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
PubChem CID141199608
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(CCN2CC3CNCC3C2)(c2ccccc2)CC1
InChIInChI=1S/C25H37N3O/c29-24(20-6-4-5-7-20)28-14-11-25(12-15-28,23-8-2-1-3-9-23)10-13-27-18-21-16-26-17-22(21)19-27/h1-3,8-9,20-22,26H,4-7,10-19H2
InChIKeyXGBFPJCUZRPKMG-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone with MolForge

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Related Compounds

[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopropylmethanone
CID 141199609
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
1-cyclopentyl-2-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone
CID 24937667
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[3-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]ethanone
CID 68575922
2-[[1-[2-(1-benzoyl-4-phenylpiperidin-4-yl)ethyl]piperidin-4-yl]methyl]benzene-1,3-dicarboxylic acid
CID 174494875
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427416
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone (CID 141199608) is [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCC(CCN2CC3CNCC3C2)(c2ccccc2)CC1.
What is the InChIKey of [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone?
The InChIKey is XGBFPJCUZRPKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c29-24(20-6-4-5-7-20)28-14-11-25(12-15-28,23-8-2-1-3-9-23)10-13-27-18-21-16-26-17-22(21)19-27/h1-3,8-9,20-22,26H,4-7,10-19H2.
What are the key properties of [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone?
[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone has a molecular weight of 395.59 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 141199608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).