[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone

C24H25N3O4 — CID 110198137

IUPAC[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc2ccccc2[nH]1)N1CCOCC1
InChIInChI=1S/C24H25N3O4/c28-23(21-14-17-6-4-5-9-20(17)25-21)27-16-19(31-18-7-2-1-3-8-18)15-22(27)24(29)26-10-12-30-13-11-26/h1-9,14,19,22,25H,10-13,15-16H2/t19-,22-/m0/s1
InChIKeyNYLZNFZYLGQBCA-UGKGYDQZSA-N
MW419.48 g/mol
LogP2.69
Rot. Bonds4

About [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110198137) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110198137
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc2ccccc2[nH]1)N1CCOCC1
InChIInChI=1S/C24H25N3O4/c28-23(21-14-17-6-4-5-9-20(17)25-21)27-16-19(31-18-7-2-1-3-8-18)15-22(27)24(29)26-10-12-30-13-11-26/h1-9,14,19,22,25H,10-13,15-16H2/t19-,22-/m0/s1
InChIKeyNYLZNFZYLGQBCA-UGKGYDQZSA-N
XLogP2.69
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
3-{5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl}-1,2-dihydroquinolin-2-one
CID 5329373
3-[5-(2-Piperidin-1-yl-ethoxy)-1H-indol-2-yl]-1H-quinolin-2-one
CID 5329375
Bis(1H-2-indolyl)methanone 45
CID 5330541
Bis(1H-2-indolyl)methanone deriv. 49
CID 5330545
5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10071413
5-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10413085
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
6-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10477871
(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 11503379
(3-hydroxypyrrolidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
CID 11566918

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110198137) is [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc2ccccc2[nH]1)N1CCOCC1.
What is the InChIKey of [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is NYLZNFZYLGQBCA-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-23(21-14-17-6-4-5-9-20(17)25-21)27-16-19(31-18-7-2-1-3-8-18)15-22(27)24(29)26-10-12-30-13-11-26/h1-9,14,19,22,25H,10-13,15-16H2/t19-,22-/m0/s1.
What are the key properties of [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 419.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(1H-indole-2-carbonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110198137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).