(3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide

C24H35N3O3 — CID 124801417

IUPAC(3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CC[C@]2(C(=O)N(C)C)CN(C)C[C@H]32)cc1
InChIInChI=1S/C24H35N3O3/c1-25(2)22(29)24-10-9-23(20(24)16-26(3)17-24)11-13-27(14-12-23)21(28)15-18-5-7-19(30-4)8-6-18/h5-8,20H,9-17H2,1-4H3/t20-,24+/m1/s1
InChIKeyBRCGPKUMOHVMBF-YKSBVNFPSA-N
MW413.56 g/mol
LogP2.28
Rot. Bonds4

About (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide

(3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide (PubChem CID 124801417) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
PubChem CID124801417
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name(3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CC[C@]2(C(=O)N(C)C)CN(C)C[C@H]32)cc1
InChIInChI=1S/C24H35N3O3/c1-25(2)22(29)24-10-9-23(20(24)16-26(3)17-24)11-13-27(14-12-23)21(28)15-18-5-7-19(30-4)8-6-18/h5-8,20H,9-17H2,1-4H3/t20-,24+/m1/s1
InChIKeyBRCGPKUMOHVMBF-YKSBVNFPSA-N
XLogP2.28
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-chlorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91922038
4-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 110359176
(3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 171695757
1-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
CID 91910427
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
(3aS,6aS)-1'-(3-methoxybenzoyl)-2-methyl-N-(2-methylpropyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 97439408
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024153
1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024152
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 163310112

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide?
The IUPAC name of (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide (CID 124801417) is (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide is COc1ccc(CC(=O)N2CCC3(CC2)CC[C@]2(C(=O)N(C)C)CN(C)C[C@H]32)cc1.
What is the InChIKey of (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide?
The InChIKey is BRCGPKUMOHVMBF-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-25(2)22(29)24-10-9-23(20(24)16-26(3)17-24)11-13-27(14-12-23)21(28)15-18-5-7-19(30-4)8-6-18/h5-8,20H,9-17H2,1-4H3/t20-,24+/m1/s1.
What are the key properties of (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide?
(3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide is sourced from PubChem (CID 124801417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).