1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione

C29H32FN3O5 — CID 10128561

IUPAC1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCOCC1)cn2C
InChIInChI=1S/C29H32FN3O5/c1-31-18-24(27(34)29(36)33-11-13-38-14-12-33)22-16-23(26(37-2)17-25(22)31)28(35)32-9-7-20(8-10-32)15-19-3-5-21(30)6-4-19/h3-6,16-18,20H,7-15H2,1-2H3
InChIKeyBCECLYDSPRXZKC-UHFFFAOYSA-N
MW521.59 g/mol
LogP3.46
Rot. Bonds6

About 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione

1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 10128561) has the molecular formula C29H32FN3O5 and a molecular weight of 521.59 g/mol. Its IUPAC name is 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID10128561
Molecular FormulaC29H32FN3O5
Molecular Weight521.59 g/mol
Exact Mass521.23
IUPAC Name1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCOCC1)cn2C
InChIInChI=1S/C29H32FN3O5/c1-31-18-24(27(34)29(36)33-11-13-38-14-12-33)22-16-23(26(37-2)17-25(22)31)28(35)32-9-7-20(8-10-32)15-19-3-5-21(30)6-4-19/h3-6,16-18,20H,7-15H2,1-2H3
InChIKeyBCECLYDSPRXZKC-UHFFFAOYSA-N
XLogP3.46
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.59
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione (CID 10128561) is 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione is COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCOCC1)cn2C.
What is the InChIKey of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is BCECLYDSPRXZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O5/c1-31-18-24(27(34)29(36)33-11-13-38-14-12-33)22-16-23(26(37-2)17-25(22)31)28(35)32-9-7-20(8-10-32)15-19-3-5-21(30)6-4-19/h3-6,16-18,20H,7-15H2,1-2H3.
What are the key properties of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 521.59 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 10128561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).