1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide

C20H24F3N3O3 — CID 155248415

IUPAC1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C20H24F3N3O3/c1-13(27)25-19(8-9-19)18(29)24-16-6-10-26(11-7-16)17(28)12-14-2-4-15(5-3-14)20(21,22)23/h2-5,16H,6-12H2,1H3,(H,24,29)(H,25,27)
InChIKeyRSMGMCRFFXSVTQ-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.02
Rot. Bonds5

About 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide

1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 155248415) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID155248415
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C20H24F3N3O3/c1-13(27)25-19(8-9-19)18(29)24-16-6-10-26(11-7-16)17(28)12-14-2-4-15(5-3-14)20(21,22)23/h2-5,16H,6-12H2,1H3,(H,24,29)(H,25,27)
InChIKeyRSMGMCRFFXSVTQ-UHFFFAOYSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558608
1-[4-[2-(aminomethyl)anilino]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155233947
1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 70719686
N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
CID 55718225
1-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidin-2-one
CID 155234103
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114801487
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 155248415) is 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide is CC(=O)NC1(C(=O)NC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is RSMGMCRFFXSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-13(27)25-19(8-9-19)18(29)24-16-6-10-26(11-7-16)17(28)12-14-2-4-15(5-3-14)20(21,22)23/h2-5,16H,6-12H2,1H3,(H,24,29)(H,25,27).
What are the key properties of 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide?
1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155248415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).