4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one

C28H36N4O3 — CID 58060129

IUPAC4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one
SMILESCc1[nH]c2ccc(Cc3cc(OCCC4CCN(C)C(=O)C4)cc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C28H36N4O3/c1-19-20(2)29-26-5-4-22(15-25(19)26)14-23-17-24(18-27(30-23)32-9-12-34-13-10-32)35-11-7-21-6-8-31(3)28(33)16-21/h4-5,15,17-18,21,29H,6-14,16H2,1-3H3
InChIKeyFMILPXDPXXNGJF-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.24
Rot. Bonds7

About 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one

4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one (PubChem CID 58060129) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one
PubChem CID58060129
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one
SMILESCc1[nH]c2ccc(Cc3cc(OCCC4CCN(C)C(=O)C4)cc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C28H36N4O3/c1-19-20(2)29-26-5-4-22(15-25(19)26)14-23-17-24(18-27(30-23)32-9-12-34-13-10-32)35-11-7-21-6-8-31(3)28(33)16-21/h4-5,15,17-18,21,29H,6-14,16H2,1-3H3
InChIKeyFMILPXDPXXNGJF-UHFFFAOYSA-N
XLogP4.24
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone
CID 58060148
6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58060245
4-[4-(2-pyridin-2-ylethoxy)-6-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-2-pyridinyl]morpholine
CID 58060121
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060102
2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
CID 59218180
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823
2-[[6-[[(2,3-dimethyl-1H-indol-5-yl)diazenyl]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]-N-methylethanamine
CID 90727053
3-[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]phenyl]-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbaldehyde
CID 118666879
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
4-[6-(9H-carbazol-3-yloxy)-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]morpholine;ethane;propane
CID 143340736
4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine
CID 164517113
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one?
The IUPAC name of 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one (CID 58060129) is 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one is Cc1[nH]c2ccc(Cc3cc(OCCC4CCN(C)C(=O)C4)cc(N4CCOCC4)n3)cc2c1C.
What is the InChIKey of 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one?
The InChIKey is FMILPXDPXXNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-19-20(2)29-26-5-4-22(15-25(19)26)14-23-17-24(18-27(30-23)32-9-12-34-13-10-32)35-11-7-21-6-8-31(3)28(33)16-21/h4-5,15,17-18,21,29H,6-14,16H2,1-3H3.
What are the key properties of 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one?
4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one has a molecular weight of 476.62 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 58060129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).