2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide

C23H31F2N3O3 — CID 155900097

IUPAC2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(F)c(F)c1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C23H31F2N3O3/c1-15(29)26-21(14-16-7-8-19(24)20(25)13-16)22(30)27-18-9-11-28(12-10-18)23(31)17-5-3-2-4-6-17/h7-8,13,17-18,21H,2-6,9-12,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyQSUDVXTUAWPUEU-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.70
Rot. Bonds6

About 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide

2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide (PubChem CID 155900097) has the molecular formula C23H31F2N3O3 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide
PubChem CID155900097
Molecular FormulaC23H31F2N3O3
Molecular Weight435.52 g/mol
Exact Mass435.23
IUPAC Name2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(F)c(F)c1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C23H31F2N3O3/c1-15(29)26-21(14-16-7-8-19(24)20(25)13-16)22(30)27-18-9-11-28(12-10-18)23(31)17-5-3-2-4-6-17/h7-8,13,17-18,21H,2-6,9-12,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyQSUDVXTUAWPUEU-UHFFFAOYSA-N
XLogP2.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 7407179
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 3227061
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 6490056
2-acetamido-3-(4-fluorophenyl)-N-[1-(methylcarbamothioyl)piperidin-4-yl]propanamide
CID 3227002
(2R)-2-acetamido-3-(3,4-difluorophenyl)-N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 98114005
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
CID 6490067
4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
[(2S)-1-(cyclohexylamino)-3-(3-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid
CID 135261084
2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 3227027
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide (CID 155900097) is 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide is CC(=O)NC(Cc1ccc(F)c(F)c1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide?
The InChIKey is QSUDVXTUAWPUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N3O3/c1-15(29)26-21(14-16-7-8-19(24)20(25)13-16)22(30)27-18-9-11-28(12-10-18)23(31)17-5-3-2-4-6-17/h7-8,13,17-18,21H,2-6,9-12,14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide?
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide has a molecular weight of 435.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 155900097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).