[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone

C24H27N3O2 — CID 138058230

IUPAC[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1cccc(N2CCCC2)c1)N1CCOCC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H27N3O2/c28-24(18-6-5-7-20(14-18)26-10-3-4-11-26)27-12-13-29-17-21(27)15-19-16-25-23-9-2-1-8-22(19)23/h1-2,5-9,14,16,21,25H,3-4,10-13,15,17H2
InChIKeyDAIFNQMFFKHZPN-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.85
Rot. Bonds4

About [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone

[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone (PubChem CID 138058230) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone
PubChem CID138058230
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1cccc(N2CCCC2)c1)N1CCOCC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H27N3O2/c28-24(18-6-5-7-20(14-18)26-10-3-4-11-26)27-12-13-29-17-21(27)15-19-16-25-23-9-2-1-8-22(19)23/h1-2,5-9,14,16,21,25H,3-4,10-13,15,17H2
InChIKeyDAIFNQMFFKHZPN-UHFFFAOYSA-N
XLogP3.85
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone
CID 100713757
[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 100713819
(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 113086444
[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
CID 113086415
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-4-[2-[(3S)-3-ethylmorpholin-4-yl]ethyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 87947111
(2S)-4-[3-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 100713786
[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113086455
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[2-[(3S)-3-(methoxymethyl)morpholin-4-yl]ethyl]piperazin-1-yl]methanone
CID 87947286
(3,5-dimethylphenyl)-[(2R)-2-(1H-indol-3-ylmethyl)-4-[(2E)-2-(2-morpholin-4-ylethoxyimino)propyl]piperazin-1-yl]methanone
CID 87940159
(3,5-difluorophenyl)-[(2R)-2-(1H-indol-3-ylmethyl)-4-[(2E)-2-(2-morpholin-4-ylethoxyimino)propyl]piperazin-1-yl]methanone
CID 87940120
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(1H-indol-3-yl)ethanone
CID 110663792
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone (CID 138058230) is [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone is O=C(c1cccc(N2CCCC2)c1)N1CCOCC1Cc1c[nH]c2ccccc12.
What is the InChIKey of [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is DAIFNQMFFKHZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24(18-6-5-7-20(14-18)26-10-3-4-11-26)27-12-13-29-17-21(27)15-19-16-25-23-9-2-1-8-22(19)23/h1-2,5-9,14,16,21,25H,3-4,10-13,15,17H2.
What are the key properties of [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone?
[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 389.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 138058230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).