N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide

C26H31FN2O2 — CID 22048702

IUPACN-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(CCCCN1CCC(c2cccc(NC(=O)C3CC3)c2)CC1)c1ccccc1F
InChIInChI=1S/C26H31FN2O2/c27-24-9-2-1-8-23(24)25(30)10-3-4-15-29-16-13-19(14-17-29)21-6-5-7-22(18-21)28-26(31)20-11-12-20/h1-2,5-9,18-20H,3-4,10-17H2,(H,28,31)
InChIKeyXXFXZMSLZXOXCS-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.41
Rot. Bonds9

About N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide

N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 22048702) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID22048702
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC NameN-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(CCCCN1CCC(c2cccc(NC(=O)C3CC3)c2)CC1)c1ccccc1F
InChIInChI=1S/C26H31FN2O2/c27-24-9-2-1-8-23(24)25(30)10-3-4-15-29-16-13-19(14-17-29)21-6-5-7-22(18-21)28-26(31)20-11-12-20/h1-2,5-9,18-20H,3-4,10-17H2,(H,28,31)
InChIKeyXXFXZMSLZXOXCS-UHFFFAOYSA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
CID 16756402
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[3-[1-[4-(2,4-dimethoxyphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048684
N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
CID 22049113
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide
CID 22049519
(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 166276779
N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
CID 142203741
N-[3-[1-[6-(2-fluorophenyl)-6-(2-methoxyphenoxy)hexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049398
N-[3-[1-[6-(3-acetylphenoxy)-6-(2-fluorophenyl)hexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049438

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide (CID 22048702) is N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide is O=C(CCCCN1CCC(c2cccc(NC(=O)C3CC3)c2)CC1)c1ccccc1F.
What is the InChIKey of N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is XXFXZMSLZXOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c27-24-9-2-1-8-23(24)25(30)10-3-4-15-29-16-13-19(14-17-29)21-6-5-7-22(18-21)28-26(31)20-11-12-20/h1-2,5-9,18-20H,3-4,10-17H2,(H,28,31).
What are the key properties of N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide?
N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 422.54 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 22048702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).