N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide

C22H24FN3O — CID 46964182

IUPACN-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3cccc(F)c3)CC2)[nH]c2ccccc12
InChIInChI=1S/C22H24FN3O/c1-15-19-7-2-3-8-20(19)25-21(15)22(27)24-18-9-11-26(12-10-18)14-16-5-4-6-17(23)13-16/h2-8,13,18,25H,9-12,14H2,1H3,(H,24,27)
InChIKeyISCNSTLCZWUZIJ-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.01
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide

N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide (PubChem CID 46964182) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
PubChem CID46964182
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC NameN-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3cccc(F)c3)CC2)[nH]c2ccccc12
InChIInChI=1S/C22H24FN3O/c1-15-19-7-2-3-8-20(19)25-21(15)22(27)24-18-9-11-26(12-10-18)14-16-5-4-6-17(23)13-16/h2-8,13,18,25H,9-12,14H2,1H3,(H,24,27)
InChIKeyISCNSTLCZWUZIJ-UHFFFAOYSA-N
XLogP4.01
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
N-(1-benzylpiperidin-4-yl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55787262
3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1H-indole-2-carboxylic acid
CID 46986278
N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 3665412
N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37345240
N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide
CID 13490823
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
CID 91827723
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 46381968
4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800444
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide (CID 46964182) is N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)NC2CCN(Cc3cccc(F)c3)CC2)[nH]c2ccccc12.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide?
The InChIKey is ISCNSTLCZWUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-15-19-7-2-3-8-20(19)25-21(15)22(27)24-18-9-11-26(12-10-18)14-16-5-4-6-17(23)13-16/h2-8,13,18,25H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide?
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46964182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).