1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide

C18H23F3N2O2 — CID 75448366

IUPAC1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(CCc2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O2/c1-13(24)23-11-9-15(10-12-23)17(25)22-16(18(19,20)21)8-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,22,25)
InChIKeyNNOGSFVCKSXPFP-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.92
Rot. Bonds5

About 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide

1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 75448366) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide
PubChem CID75448366
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(CCc2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O2/c1-13(24)23-11-9-15(10-12-23)17(25)22-16(18(19,20)21)8-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,22,25)
InChIKeyNNOGSFVCKSXPFP-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 71785218
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide
CID 171676221
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
(2S)-4-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 142848800
N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide
CID 94823413
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-sulfanylbutanoic acid
CID 114212494
N-(4-phenylbutan-2-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 42909030
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide (CID 75448366) is 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC(CCc2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is NNOGSFVCKSXPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-13(24)23-11-9-15(10-12-23)17(25)22-16(18(19,20)21)8-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,22,25).
What are the key properties of 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide?
1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 75448366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).