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

C29H32FN3O4 — CID 10174517

IUPAC1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
SMILESCOc1cc2[nH]cc(C(=O)C(=O)N3CCCCC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H32FN3O4/c1-37-26-17-25-22(24(18-31-25)27(34)29(36)32-11-3-2-4-12-32)16-23(26)28(35)33-13-9-20(10-14-33)15-19-5-7-21(30)8-6-19/h5-8,16-18,20,31H,2-4,9-15H2,1H3
InChIKeyMXNVUHKTSXQOTC-UHFFFAOYSA-N
MW505.59 g/mol
LogP4.61
Rot. Bonds6

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

1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione (PubChem CID 10174517) has the molecular formula C29H32FN3O4 and a molecular weight of 505.59 g/mol. Its IUPAC name is 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
PubChem CID10174517
Molecular FormulaC29H32FN3O4
Molecular Weight505.59 g/mol
Exact Mass505.24
IUPAC Name1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
SMILESCOc1cc2[nH]cc(C(=O)C(=O)N3CCCCC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H32FN3O4/c1-37-26-17-25-22(24(18-31-25)27(34)29(36)32-11-3-2-4-12-32)16-23(26)28(35)33-13-9-20(10-14-33)15-19-5-7-21(30)8-6-19/h5-8,16-18,20,31H,2-4,9-15H2,1H3
InChIKeyMXNVUHKTSXQOTC-UHFFFAOYSA-N
XLogP4.61
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione (CID 10174517) is 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione is COc1cc2[nH]cc(C(=O)C(=O)N3CCCCC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is MXNVUHKTSXQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O4/c1-37-26-17-25-22(24(18-31-25)27(34)29(36)32-11-3-2-4-12-32)16-23(26)28(35)33-13-9-20(10-14-33)15-19-5-7-21(30)8-6-19/h5-8,16-18,20,31H,2-4,9-15H2,1H3.
What are the key properties of 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 505.59 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 10174517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).