[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone

C21H24N2O2 — CID 110126598

IUPAC[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2C[C@H]3CC(OCc4ccccc4)C[C@H]3C2)n1
InChIInChI=1S/C21H24N2O2/c1-15-6-5-9-20(22-15)21(24)23-12-17-10-19(11-18(17)13-23)25-14-16-7-3-2-4-8-16/h2-9,17-19H,10-14H2,1H3/t17-,18+,19?
InChIKeyYTRTUIZYCXCFCM-DFNIBXOVSA-N
MW336.44 g/mol
LogP3.46
Rot. Bonds4

About [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone

[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 110126598) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID110126598
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2C[C@H]3CC(OCc4ccccc4)C[C@H]3C2)n1
InChIInChI=1S/C21H24N2O2/c1-15-6-5-9-20(22-15)21(24)23-12-17-10-19(11-18(17)13-23)25-14-16-7-3-2-4-8-16/h2-9,17-19H,10-14H2,1H3/t17-,18+,19?
InChIKeyYTRTUIZYCXCFCM-DFNIBXOVSA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone 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

(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
(3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376720
[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[3-(2-aminoethoxy)phenyl]methanone
CID 155984245
(6-methyl-2-pyridinyl)-[7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 26325136
[(3aR,6aS)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 110126494
(6-methyl-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 127380279
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588
1-[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-pyrazol-1-ylbutan-1-one
CID 110126609
1-[1-[(3aS,6aR)-5-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone
CID 161252985
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone (CID 110126598) is [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2C[C@H]3CC(OCc4ccccc4)C[C@H]3C2)n1.
What is the InChIKey of [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is YTRTUIZYCXCFCM-DFNIBXOVSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-6-5-9-20(22-15)21(24)23-12-17-10-19(11-18(17)13-23)25-14-16-7-3-2-4-8-16/h2-9,17-19H,10-14H2,1H3/t17-,18+,19?.
What are the key properties of [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone?
[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 110126598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).