1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

C24H27FN4O2 — CID 56507013

IUPAC1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C24H27FN4O2/c1-15-20(21-11-18(25)6-9-22(21)27-15)12-23(30)28-19-7-4-16(5-8-19)13-29-10-2-3-17(14-29)24(26)31/h4-9,11,17,27H,2-3,10,12-14H2,1H3,(H2,26,31)(H,28,30)
InChIKeyYJDFJOLDFQUXEN-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.49
Rot. Bonds6

About 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56507013) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56507013
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C24H27FN4O2/c1-15-20(21-11-18(25)6-9-22(21)27-15)12-23(30)28-19-7-4-16(5-8-19)13-29-10-2-3-17(14-29)24(26)31/h4-9,11,17,27H,2-3,10,12-14H2,1H3,(H2,26,31)(H,28,30)
InChIKeyYJDFJOLDFQUXEN-UHFFFAOYSA-N
XLogP3.49
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
N-[4-[1-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46474815

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 56507013) is 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is YJDFJOLDFQUXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-15-20(21-11-18(25)6-9-22(21)27-15)12-23(30)28-19-7-4-16(5-8-19)13-29-10-2-3-17(14-29)24(26)31/h4-9,11,17,27H,2-3,10,12-14H2,1H3,(H2,26,31)(H,28,30).
What are the key properties of 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56507013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).