N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide

C22H25FN2O3 — CID 32644603

IUPACN-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C22H25FN2O3/c23-18-8-12-20(13-9-18)28-16-4-2-14-24-22(27)17-6-10-19(11-7-17)25-15-3-1-5-21(25)26/h6-13H,1-5,14-16H2,(H,24,27)
InChIKeyBLTBKSHKSDSJNO-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.93
Rot. Bonds8

About N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 32644603) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID32644603
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C22H25FN2O3/c23-18-8-12-20(13-9-18)28-16-4-2-14-24-22(27)17-6-10-19(11-7-17)25-15-3-1-5-21(25)26/h6-13H,1-5,14-16H2,(H,24,27)
InChIKeyBLTBKSHKSDSJNO-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.93
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

4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55747231
N-[2-[3-(4-fluorophenyl)sulfanylpropylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27802273
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3571977
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 32644603) is N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide is O=C(NCCCCOc1ccc(F)cc1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is BLTBKSHKSDSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-18-8-12-20(13-9-18)28-16-4-2-14-24-22(27)17-6-10-19(11-7-17)25-15-3-1-5-21(25)26/h6-13H,1-5,14-16H2,(H,24,27).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 384.45 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 32644603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).