[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone

C23H26N2O2 — CID 126449791

IUPAC[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)N1C[C@@H](c3ccccc3)C(C)(C)C1)n2C
InChIInChI=1S/C23H26N2O2/c1-23(2)15-25(14-19(23)16-8-6-5-7-9-16)22(26)21-13-17-12-18(27-4)10-11-20(17)24(21)3/h5-13,19H,14-15H2,1-4H3/t19-/m0/s1
InChIKeyCWNDORXRLGHJCT-IBGZPJMESA-N
MW362.47 g/mol
LogP4.45
Rot. Bonds3

About [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone

[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone (PubChem CID 126449791) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
PubChem CID126449791
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)N1C[C@@H](c3ccccc3)C(C)(C)C1)n2C
InChIInChI=1S/C23H26N2O2/c1-23(2)15-25(14-19(23)16-8-6-5-7-9-16)22(26)21-13-17-12-18(27-4)10-11-20(17)24(21)3/h5-13,19H,14-15H2,1-4H3/t19-/m0/s1
InChIKeyCWNDORXRLGHJCT-IBGZPJMESA-N
XLogP4.45
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone with MolForge

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Related Compounds

(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95119899
(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methoxy-1-methylindol-2-yl)methanone
CID 70721266
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)methanone
CID 119067641
[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120952
5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide
CID 131898552
N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide
CID 70756083
3-[1-(5-methoxy-1-methylindole-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 70727049
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126440527
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124588881
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone
CID 119059902
[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
CID 110264765

Frequently Asked Questions

What is the IUPAC name of [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The IUPAC name of [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone (CID 126449791) is [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The canonical SMILES for [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone is COc1ccc2c(c1)cc(C(=O)N1C[C@@H](c3ccccc3)C(C)(C)C1)n2C.
What is the InChIKey of [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The InChIKey is CWNDORXRLGHJCT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N2O2/c1-23(2)15-25(14-19(23)16-8-6-5-7-9-16)22(26)21-13-17-12-18(27-4)10-11-20(17)24(21)3/h5-13,19H,14-15H2,1-4H3/t19-/m0/s1.
What are the key properties of [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone has a molecular weight of 362.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 126449791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).