N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide

C25H27FN4O — CID 22037937

IUPACN-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(C#N)c(C)n(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C25H27FN4O/c1-17-24(16-27)23-8-7-21(28-18(2)31)15-25(23)30(17)22-10-13-29(14-11-22)12-9-19-3-5-20(26)6-4-19/h3-8,15,22H,9-14H2,1-2H3,(H,28,31)
InChIKeyGAURXIFROVOMTA-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.80
Rot. Bonds5

About N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide

N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide (PubChem CID 22037937) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide
PubChem CID22037937
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC NameN-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(C#N)c(C)n(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C25H27FN4O/c1-17-24(16-27)23-8-7-21(28-18(2)31)15-25(23)30(17)22-10-13-29(14-11-22)12-9-19-3-5-20(26)6-4-19/h3-8,15,22H,9-14H2,1-2H3,(H,28,31)
InChIKeyGAURXIFROVOMTA-UHFFFAOYSA-N
XLogP4.80
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide
CID 174391488
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide
CID 175234272
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide
CID 87903544
N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide
CID 69351836
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-cyano-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
CID 87903495
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
CID 22038010
1-[4-[3-cyano-1-cyclobutyl-6-(4-morpholin-4-ylbutyl)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 70798051
bis[6-[2-(dimethylamino)-2-oxoethyl]-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-3-yl] oxalate
CID 87903485
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
3-cyano-N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]benzamide
CID 71869671
1-(1,3-benzodioxol-5-yl)-3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]urea
CID 22430469

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide?
The IUPAC name of N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide (CID 22037937) is N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide.
What is the SMILES notation for N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide?
The canonical SMILES for N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide is CC(=O)Nc1ccc2c(C#N)c(C)n(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide?
The InChIKey is GAURXIFROVOMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-17-24(16-27)23-8-7-21(28-18(2)31)15-25(23)30(17)22-10-13-29(14-11-22)12-9-19-3-5-20(26)6-4-19/h3-8,15,22H,9-14H2,1-2H3,(H,28,31).
What are the key properties of N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide?
N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide is sourced from PubChem (CID 22037937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).