5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide

C19H21ClF3N3O3 — CID 176993914

IUPAC5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
SMILESCC[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C19H21ClF3N3O3/c1-2-14(18(28)26-7-5-13(6-8-26)29-19(21,22)23)25-17(27)16-10-11-9-12(20)3-4-15(11)24-16/h3-4,9-10,13-14,24H,2,5-8H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyHRHOADAWLPWFIQ-AWEZNQCLSA-N
MW431.84 g/mol
LogP3.86
Rot. Bonds5

About 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide (PubChem CID 176993914) has the molecular formula C19H21ClF3N3O3 and a molecular weight of 431.84 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
PubChem CID176993914
Molecular FormulaC19H21ClF3N3O3
Molecular Weight431.84 g/mol
Exact Mass431.12
IUPAC Name5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
SMILESCC[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C19H21ClF3N3O3/c1-2-14(18(28)26-7-5-13(6-8-26)29-19(21,22)23)25-17(27)16-10-11-9-12(20)3-4-15(11)24-16/h3-4,9-10,13-14,24H,2,5-8H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyHRHOADAWLPWFIQ-AWEZNQCLSA-N
XLogP3.86
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.84
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 176993985
(4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid;hydrochloride
CID 21060548
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 23540223
5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 168922734
3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
CID 20627086
(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 122421163
[1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidin-4-yl] acetate
CID 59753732
sodium 1-[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoyl]azetidine-3-carboxylate
CID 70097424
ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
CID 141106091
5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 162379467
5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69142306
5-chloro-N-[(2S)-1-oxo-1-(3-oxopiperazin-1-yl)-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 20679219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide (CID 176993914) is 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide is CC[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is HRHOADAWLPWFIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClF3N3O3/c1-2-14(18(28)26-7-5-13(6-8-26)29-19(21,22)23)25-17(27)16-10-11-9-12(20)3-4-15(11)24-16/h3-4,9-10,13-14,24H,2,5-8H2,1H3,(H,25,27)/t14-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 431.84 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176993914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).