N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide

C29H35FN4O4 — CID 10311589

IUPACN-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide
SMILESCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)NCCN(C)C)cn2C
InChIInChI=1S/C29H35FN4O4/c1-32(2)14-11-31-28(36)27(35)24-18-33(3)25-17-26(38-4)23(16-22(24)25)29(37)34-12-9-20(10-13-34)15-19-5-7-21(30)8-6-19/h5-8,16-18,20H,9-15H2,1-4H3,(H,31,36)
InChIKeyFCBUCKZXUAKYQJ-UHFFFAOYSA-N
MW522.62 g/mol
LogP3.28
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide

N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide (PubChem CID 10311589) has the molecular formula C29H35FN4O4 and a molecular weight of 522.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide
PubChem CID10311589
Molecular FormulaC29H35FN4O4
Molecular Weight522.62 g/mol
Exact Mass522.26
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide
SMILESCOc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)NCCN(C)C)cn2C
InChIInChI=1S/C29H35FN4O4/c1-32(2)14-11-31-28(36)27(35)24-18-33(3)25-17-26(38-4)23(16-22(24)25)29(37)34-12-9-20(10-13-34)15-19-5-7-21(30)8-6-19/h5-8,16-18,20H,9-15H2,1-4H3,(H,31,36)
InChIKeyFCBUCKZXUAKYQJ-UHFFFAOYSA-N
XLogP3.28
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.62
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide (CID 10311589) is N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide is COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)NCCN(C)C)cn2C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide?
The InChIKey is FCBUCKZXUAKYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O4/c1-32(2)14-11-31-28(36)27(35)24-18-33(3)25-17-26(38-4)23(16-22(24)25)29(37)34-12-9-20(10-13-34)15-19-5-7-21(30)8-6-19/h5-8,16-18,20H,9-15H2,1-4H3,(H,31,36).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide?
N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide has a molecular weight of 522.62 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 10311589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).