5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]

C34H49N3O — CID 85298048

IUPAC5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]
SMILESCC(C)C1CCC(N2CCC3(CC2)C2CN(CCOCc4ccccc4)CC2CN3c2ccccc2)CC1
InChIInChI=1S/C34H49N3O/c1-27(2)29-13-15-31(16-14-29)36-19-17-34(18-20-36)33-25-35(21-22-38-26-28-9-5-3-6-10-28)23-30(33)24-37(34)32-11-7-4-8-12-32/h3-12,27,29-31,33H,13-26H2,1-2H3
InChIKeyOEKMPQUZSHZBSI-UHFFFAOYSA-N
MW515.79 g/mol
LogP6.32
Rot. Bonds8

About 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]

5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] (PubChem CID 85298048) has the molecular formula C34H49N3O and a molecular weight of 515.79 g/mol. Its IUPAC name is 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine].

Molecular Properties

Compound Name5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]
PubChem CID85298048
Molecular FormulaC34H49N3O
Molecular Weight515.79 g/mol
Exact Mass515.39
IUPAC Name5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]
SMILESCC(C)C1CCC(N2CCC3(CC2)C2CN(CCOCc4ccccc4)CC2CN3c2ccccc2)CC1
InChIInChI=1S/C34H49N3O/c1-27(2)29-13-15-31(16-14-29)36-19-17-34(18-20-36)33-25-35(21-22-38-26-28-9-5-3-6-10-28)23-30(33)24-37(34)32-11-7-4-8-12-32/h3-12,27,29-31,33H,13-26H2,1-2H3
InChIKeyOEKMPQUZSHZBSI-UHFFFAOYSA-N
XLogP6.32
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.79
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-phenyl-8-(4-propan-2-ylcyclohexyl)-1,8-diazaspiro[4.5]decane
CID 18002534
3-[9-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-3-yl]nonyl]-1-phenyl-8-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 11411841
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride
CID 23298886
3-(6-aminohexyl)-1-phenyl-8-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 11155268
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785
2-cyclopentyl-9-(2-phenylmethoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713615
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(2-phenylmethoxyethyl)piperidin-4-ol
CID 72869524
4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane
CID 11436891

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]?
The IUPAC name of 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] (CID 85298048) is 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine].
What is the SMILES notation for 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]?
The canonical SMILES for 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] is CC(C)C1CCC(N2CCC3(CC2)C2CN(CCOCc4ccccc4)CC2CN3c2ccccc2)CC1.
What is the InChIKey of 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]?
The InChIKey is OEKMPQUZSHZBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N3O/c1-27(2)29-13-15-31(16-14-29)36-19-17-34(18-20-36)33-25-35(21-22-38-26-28-9-5-3-6-10-28)23-30(33)24-37(34)32-11-7-4-8-12-32/h3-12,27,29-31,33H,13-26H2,1-2H3.
What are the key properties of 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]?
5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] has a molecular weight of 515.79 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] is sourced from PubChem (CID 85298048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).