[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone

C22H28N2O2 — CID 42789667

IUPAC[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(Cn2c3c(c(C)c2C(=O)N2CCCC2)CCCC3)c1
InChIInChI=1S/C22H28N2O2/c1-16-19-10-3-4-11-20(19)24(15-17-8-7-9-18(14-17)26-2)21(16)22(25)23-12-5-6-13-23/h7-9,14H,3-6,10-13,15H2,1-2H3
InChIKeyVLSHZCANFMKQOE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.97
Rot. Bonds4

About [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone

[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42789667) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID42789667
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(Cn2c3c(c(C)c2C(=O)N2CCCC2)CCCC3)c1
InChIInChI=1S/C22H28N2O2/c1-16-19-10-3-4-11-20(19)24(15-17-8-7-9-18(14-17)26-2)21(16)22(25)23-12-5-6-13-23/h7-9,14H,3-6,10-13,15H2,1-2H3
InChIKeyVLSHZCANFMKQOE-UHFFFAOYSA-N
XLogP3.97
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide
CID 42789664
ethyl 1-[1-[(3-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carbonyl]piperidine-3-carboxylate
CID 42810133
[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrol-2-yl]-morpholin-4-ylmethanone
CID 42789748
1-[4-[1-[(2,6-difluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carbonyl]piperazin-1-yl]ethanone
CID 42792424
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134001201
ethyl 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate
CID 42789754
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[4-[(2,6-dimethylphenoxy)methyl]phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19323232
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
4-chloro-9-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrimido[4,5-b]indole
CID 118625590

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone (CID 42789667) is [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone is COc1cccc(Cn2c3c(c(C)c2C(=O)N2CCCC2)CCCC3)c1.
What is the InChIKey of [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VLSHZCANFMKQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-19-10-3-4-11-20(19)24(15-17-8-7-9-18(14-17)26-2)21(16)22(25)23-12-5-6-13-23/h7-9,14H,3-6,10-13,15H2,1-2H3.
What are the key properties of [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone?
[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 352.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42789667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).