2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H25F3N2O3 — CID 118712050

IUPAC2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N2O3/c1-3-13(2)18(26)24-10-8-14(9-11-24)12-17(25)23-15-4-6-16(7-5-15)27-19(20,21)22/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyFYHLDHDZFQKNFY-ZDUSSCGKSA-N
MW386.41 g/mol
LogP4.20
Rot. Bonds6

About 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 118712050) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID118712050
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N2O3/c1-3-13(2)18(26)24-10-8-14(9-11-24)12-17(25)23-15-4-6-16(7-5-15)27-19(20,21)22/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyFYHLDHDZFQKNFY-ZDUSSCGKSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71680197
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
ethyl 4-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26289068
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 110019704
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea
CID 144935184
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide
CID 130216413
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-propan-2-ylazanium
CID 2098849
2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide
CID 171698789
[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366291
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2098901
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 118712050) is 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FYHLDHDZFQKNFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-3-13(2)18(26)24-10-8-14(9-11-24)12-17(25)23-15-4-6-16(7-5-15)27-19(20,21)22/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,25)/t13-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 118712050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).