[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone

C22H31N3O3 — CID 69280304

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
SMILESCN1CCCC1CCOc1ccc2[nH]c(C(=O)N3CCC(CO)CC3)cc2c1
InChIInChI=1S/C22H31N3O3/c1-24-9-2-3-18(24)8-12-28-19-4-5-20-17(13-19)14-21(23-20)22(27)25-10-6-16(15-26)7-11-25/h4-5,13-14,16,18,23,26H,2-3,6-12,15H2,1H3
InChIKeyFGSHOCNUHCUTDV-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.88
Rot. Bonds6

About [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone

[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone (PubChem CID 69280304) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
PubChem CID69280304
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
SMILESCN1CCCC1CCOc1ccc2[nH]c(C(=O)N3CCC(CO)CC3)cc2c1
InChIInChI=1S/C22H31N3O3/c1-24-9-2-3-18(24)8-12-28-19-4-5-20-17(13-19)14-21(23-20)22(27)25-10-6-16(15-26)7-11-25/h4-5,13-14,16,18,23,26H,2-3,6-12,15H2,1H3
InChIKeyFGSHOCNUHCUTDV-UHFFFAOYSA-N
XLogP2.88
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 69283271
(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
CID 69282920
5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propyl-1H-indole-2-carboxamide
CID 69282619
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
CID 69283237
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 69282953
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indole-2-carboxamide
CID 59451559
3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone
CID 69073873

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone (CID 69280304) is [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone is CN1CCCC1CCOc1ccc2[nH]c(C(=O)N3CCC(CO)CC3)cc2c1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone?
The InChIKey is FGSHOCNUHCUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-24-9-2-3-18(24)8-12-28-19-4-5-20-17(13-19)14-21(23-20)22(27)25-10-6-16(15-26)7-11-25/h4-5,13-14,16,18,23,26H,2-3,6-12,15H2,1H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone is sourced from PubChem (CID 69280304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).