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

C23H33N3O — CID 141199609

IUPAC[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(CCN2CC3CNCC3C2)(c2ccccc2)CC1
InChIInChI=1S/C23H33N3O/c27-22(18-6-7-18)26-12-9-23(10-13-26,21-4-2-1-3-5-21)8-11-25-16-19-14-24-15-20(19)17-25/h1-5,18-20,24H,6-17H2
InChIKeyUSPGSBIZWFUPPD-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.50
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]-cyclopropylmethanone

[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 141199609) has the molecular formula C23H33N3O and a molecular weight of 367.54 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]-cyclopropylmethanone.

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]-cyclopropylmethanone
PubChem CID141199609
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(CCN2CC3CNCC3C2)(c2ccccc2)CC1
InChIInChI=1S/C23H33N3O/c27-22(18-6-7-18)26-12-9-23(10-13-26,21-4-2-1-3-5-21)8-11-25-16-19-14-24-15-20(19)17-25/h1-5,18-20,24H,6-17H2
InChIKeyUSPGSBIZWFUPPD-UHFFFAOYSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.50
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]-cyclopropylmethanone 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]-cyclopentylmethanone
CID 141199608
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
2-[1-[8-[2-[1-(cyclopropanecarbonyl)-4-phenylpiperidin-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-yl]-1-cyclopropylethanone
CID 68678162
2-[1-[(1R,5S)-8-[2-[1-(cyclopropanecarbonyl)-4-phenylpiperidin-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-yl]-1-cyclopropylethanone
CID 58728391
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-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
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
3-[4-[2-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-4-phenylpiperidin-1-yl]-1,1,1-trifluoropropan-2-one
CID 90731565
5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60971520
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42287691

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]-cyclopropylmethanone?
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]-cyclopropylmethanone (CID 141199609) is [4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopropylmethanone.
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]-cyclopropylmethanone?
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]-cyclopropylmethanone is O=C(C1CC1)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]-cyclopropylmethanone?
The InChIKey is USPGSBIZWFUPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c27-22(18-6-7-18)26-12-9-23(10-13-26,21-4-2-1-3-5-21)8-11-25-16-19-14-24-15-20(19)17-25/h1-5,18-20,24H,6-17H2.
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]-cyclopropylmethanone?
[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 367.54 g/mol, XLogP of 2.50, 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]-cyclopropylmethanone is sourced from PubChem (CID 141199609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).