N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide

C23H24F2N2O2 — CID 51119993

IUPACN-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C23H24F2N2O2/c24-17-6-9-20(25)19(14-17)22(28)16-10-12-27(13-11-16)21(15-4-2-1-3-5-15)23(29)26-18-7-8-18/h1-6,9,14,16,18,21H,7-8,10-13H2,(H,26,29)
InChIKeyYTOQQICUWMSBEY-UHFFFAOYSA-N
MW398.45 g/mol
LogP3.88
Rot. Bonds6

About N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide

N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide (PubChem CID 51119993) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
PubChem CID51119993
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC NameN-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C23H24F2N2O2/c24-17-6-9-20(25)19(14-17)22(28)16-10-12-27(13-11-16)21(15-4-2-1-3-5-15)23(29)26-18-7-8-18/h1-6,9,14,16,18,21H,7-8,10-13H2,(H,26,29)
InChIKeyYTOQQICUWMSBEY-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 55738106
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 8995848
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24593623
N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 55738263
2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56546226
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9036697
(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9044690

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide (CID 51119993) is N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide is O=C(c1cc(F)ccc1F)C1CCN(C(C(=O)NC2CC2)c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is YTOQQICUWMSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c24-17-6-9-20(25)19(14-17)22(28)16-10-12-27(13-11-16)21(15-4-2-1-3-5-15)23(29)26-18-7-8-18/h1-6,9,14,16,18,21H,7-8,10-13H2,(H,26,29).
What are the key properties of N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide?
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 398.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 51119993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).