formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C21H29N3O5 — CID 171688359

IUPACformic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(O)(CN2CCOCC2)C1.O=CO
InChIInChI=1S/C20H27N3O3.CH2O2/c24-19(6-5-16-13-21-18-4-2-1-3-17(16)18)23-8-7-20(25,15-23)14-22-9-11-26-12-10-22;2-1-3/h1-4,13,21,25H,5-12,14-15H2;1H,(H,2,3)
InChIKeyGGMUIJNPLBJMEV-UHFFFAOYSA-N
MW403.48 g/mol
LogP1.10
Rot. Bonds5

About formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 171688359) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Nameformic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID171688359
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Nameformic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(O)(CN2CCOCC2)C1.O=CO
InChIInChI=1S/C20H27N3O3.CH2O2/c24-19(6-5-16-13-21-18-4-2-1-3-17(16)18)23-8-7-20(25,15-23)14-22-9-11-26-12-10-22;2-1-3/h1-4,13,21,25H,5-12,14-15H2;1H,(H,2,3)
InChIKeyGGMUIJNPLBJMEV-UHFFFAOYSA-N
XLogP1.10
TPSA106.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
3-(1H-indol-3-yl)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97122997
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 167897458
2-(2-fluorophenyl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125021964
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97017421
4-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 124977540
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 171688359) is formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCC(O)(CN2CCOCC2)C1.O=CO.
What is the InChIKey of formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is GGMUIJNPLBJMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.CH2O2/c24-19(6-5-16-13-21-18-4-2-1-3-17(16)18)23-8-7-20(25,15-23)14-22-9-11-26-12-10-22;2-1-3/h1-4,13,21,25H,5-12,14-15H2;1H,(H,2,3).
What are the key properties of formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 403.48 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 171688359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).