2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide

C17H18F3N3O2 — CID 21036988

IUPAC2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)16(25)21-10-11-5-7-23(8-6-11)15(24)14-9-12-3-1-2-4-13(12)22-14/h1-4,9,11,22H,5-8,10H2,(H,21,25)
InChIKeyCYJDCTMNADVZKB-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.70
Rot. Bonds3

About 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 21036988) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID21036988
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)16(25)21-10-11-5-7-23(8-6-11)15(24)14-9-12-3-1-2-4-13(12)22-14/h1-4,9,11,22H,5-8,10H2,(H,21,25)
InChIKeyCYJDCTMNADVZKB-UHFFFAOYSA-N
XLogP2.70
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 108932663
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 53037950
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 22660610
(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076941

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide (CID 21036988) is 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide is O=C(c1cc2ccccc2[nH]1)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CYJDCTMNADVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)16(25)21-10-11-5-7-23(8-6-11)15(24)14-9-12-3-1-2-4-13(12)22-14/h1-4,9,11,22H,5-8,10H2,(H,21,25).
What are the key properties of 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 21036988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).