morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone

C17H21N3O3 — CID 69282983

IUPACmorpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(O[C@H]3CCNC3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C17H21N3O3/c21-17(20-5-7-22-8-6-20)16-10-12-9-13(1-2-15(12)19-16)23-14-3-4-18-11-14/h1-2,9-10,14,18-19H,3-8,11H2/t14-/m0/s1
InChIKeyLPBJBTJLSGEACL-AWEZNQCLSA-N
MW315.37 g/mol
LogP1.38
Rot. Bonds3

About morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone

morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone (PubChem CID 69282983) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone
PubChem CID69282983
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemorpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(O[C@H]3CCNC3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C17H21N3O3/c21-17(20-5-7-22-8-6-20)16-10-12-9-13(1-2-15(12)19-16)23-14-3-4-18-11-14/h1-2,9-10,14,18-19H,3-8,11H2/t14-/m0/s1
InChIKeyLPBJBTJLSGEACL-AWEZNQCLSA-N
XLogP1.38
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945
4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-1H-indole-2-carbonyl]piperazine-1-carboxylic acid
CID 141212152
5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole
CID 141128879
[4-hydroxy-2-(morpholine-4-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-propoxy-1H-indol-2-yl)methanone
CID 134275541
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 16727359
(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 122421163

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone (CID 69282983) is morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone is O=C(c1cc2cc(O[C@H]3CCNC3)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone?
The InChIKey is LPBJBTJLSGEACL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(20-5-7-22-8-6-20)16-10-12-9-13(1-2-15(12)19-16)23-14-3-4-18-11-14/h1-2,9-10,14,18-19H,3-8,11H2/t14-/m0/s1.
What are the key properties of morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone?
morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone has a molecular weight of 315.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone is sourced from PubChem (CID 69282983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).