Scio-323

C27H30FN3O4 — CID 10288822

IUPAC2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN1C=C(C2=CC(=C(C=C21)OC)C(=O)N3CCC(CC3)CC4=CC=C(C=C4)F)C(=O)C(=O)N(C)C
InChIInChI=1S/C27H30FN3O4/c1-29(2)27(34)25(32)22-16-30(3)23-15-24(35-4)21(14-20(22)23)26(33)31-11-9-18(10-12-31)13-17-5-7-19(28)8-6-17/h5-8,14-16,18H,9-13H2,1-4H3
InChIKeyJBNWDYGOTHQHOZ-UHFFFAOYSA-N
MW479.50 g/mol
LogP3.60
Rot. Bonds6

About Scio-323

Scio-323 (PubChem CID 10288822) has the molecular formula C27H30FN3O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound NameScio-323
PubChem CID10288822
Molecular FormulaC27H30FN3O4
Molecular Weight479.50 g/mol
Exact Mass479.22
IUPAC Name2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN1C=C(C2=CC(=C(C=C21)OC)C(=O)N3CCC(CC3)CC4=CC=C(C=C4)F)C(=O)C(=O)N(C)C
InChIInChI=1S/C27H30FN3O4/c1-29(2)27(34)25(32)22-16-30(3)23-15-24(35-4)21(14-20(22)23)26(33)31-11-9-18(10-12-31)13-17-5-7-19(28)8-6-17/h5-8,14-16,18H,9-13H2,1-4H3
InChIKeyJBNWDYGOTHQHOZ-UHFFFAOYSA-N
XLogP3.60
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity776

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 Scio-323?
The IUPAC name of Scio-323 (CID 10288822) is 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for Scio-323?
The canonical SMILES for Scio-323 is CN1C=C(C2=CC(=C(C=C21)OC)C(=O)N3CCC(CC3)CC4=CC=C(C=C4)F)C(=O)C(=O)N(C)C.
What is the InChIKey of Scio-323?
The InChIKey is JBNWDYGOTHQHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O4/c1-29(2)27(34)25(32)22-16-30(3)23-15-24(35-4)21(14-20(22)23)26(33)31-11-9-18(10-12-31)13-17-5-7-19(28)8-6-17/h5-8,14-16,18H,9-13H2,1-4H3.
What are the key properties of Scio-323?
Scio-323 has a molecular weight of 479.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Scio-323 is sourced from PubChem (CID 10288822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).