4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide

C22H27FN2O2 — CID 17091477

IUPAC4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1
InChIInChI=1S/C22H27FN2O2/c1-3-16(2)27-19-10-7-17(8-11-19)22(26)24-18-9-12-21(20(23)15-18)25-13-5-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyNMQLVNRAVNYZDI-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.25
Rot. Bonds6

About 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide

4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide (PubChem CID 17091477) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
PubChem CID17091477
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1
InChIInChI=1S/C22H27FN2O2/c1-3-16(2)27-19-10-7-17(8-11-19)22(26)24-18-9-12-21(20(23)15-18)25-13-5-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyNMQLVNRAVNYZDI-UHFFFAOYSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3795149
methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 43913710
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide
CID 1227276
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 55946709
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 55945183
4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3584037
4-[(2S)-butan-2-yl]oxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 40864770
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
CID 61174610
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 55890047
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide (CID 17091477) is 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide?
The InChIKey is NMQLVNRAVNYZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-3-16(2)27-19-10-7-17(8-11-19)22(26)24-18-9-12-21(20(23)15-18)25-13-5-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,26).
What are the key properties of 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide?
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide has a molecular weight of 370.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 17091477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).