[(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C20H26FN3O2 — CID 92632330

IUPAC[(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(CN2CCC[C@]2(C)C(=O)N2CCOCC2)c2cc(F)ccc21
InChIInChI=1S/C20H26FN3O2/c1-20(19(25)23-8-10-26-11-9-23)6-3-7-24(20)14-15-13-22(2)18-5-4-16(21)12-17(15)18/h4-5,12-13H,3,6-11,14H2,1-2H3/t20-/m1/s1
InChIKeyPKDFZRYBPFMSJN-HXUWFJFHSA-N
MW359.45 g/mol
LogP2.53
Rot. Bonds3

About [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 92632330) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID92632330
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name[(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(CN2CCC[C@]2(C)C(=O)N2CCOCC2)c2cc(F)ccc21
InChIInChI=1S/C20H26FN3O2/c1-20(19(25)23-8-10-26-11-9-23)6-3-7-24(20)14-15-13-22(2)18-5-4-16(21)12-17(15)18/h4-5,12-13H,3,6-11,14H2,1-2H3/t20-/m1/s1
InChIKeyPKDFZRYBPFMSJN-HXUWFJFHSA-N
XLogP2.53
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 46974700
1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 102616851
4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
CID 68612224
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46978008
4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
CID 170426436
1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one
CID 84638554
1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
CID 117121023
4-[3-(6-fluoro-1-methylindol-3-yl)propyl]morpholine
CID 170871004
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 92632330) is [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone is Cn1cc(CN2CCC[C@]2(C)C(=O)N2CCOCC2)c2cc(F)ccc21.
What is the InChIKey of [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is PKDFZRYBPFMSJN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-20(19(25)23-8-10-26-11-9-23)6-3-7-24(20)14-15-13-22(2)18-5-4-16(21)12-17(15)18/h4-5,12-13H,3,6-11,14H2,1-2H3/t20-/m1/s1.
What are the key properties of [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 359.45 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-fluoro-1-methylindol-3-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92632330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).