5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

C24H30FN3O3 — CID 42757051

IUPAC5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCCC1
InChIInChI=1S/C24H30FN3O3/c1-31-15-5-12-26-24(30)21-17-20(10-11-22(21)28-13-3-2-4-14-28)27-23(29)16-18-6-8-19(25)9-7-18/h6-11,17H,2-5,12-16H2,1H3,(H,26,30)(H,27,29)
InChIKeySBVIQJABIKNODN-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.76
Rot. Bonds9

About 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (PubChem CID 42757051) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
PubChem CID42757051
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCCC1
InChIInChI=1S/C24H30FN3O3/c1-31-15-5-12-26-24(30)21-17-20(10-11-22(21)28-13-3-2-4-14-28)27-23(29)16-18-6-8-19(25)9-7-18/h6-11,17H,2-5,12-16H2,1H3,(H,26,30)(H,27,29)
InChIKeySBVIQJABIKNODN-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3442769
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 5106369
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063328
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751065
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3260050
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (CID 42757051) is 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is COCCCNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCCC1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The InChIKey is SBVIQJABIKNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-31-15-5-12-26-24(30)21-17-20(10-11-22(21)28-13-3-2-4-14-28)27-23(29)16-18-6-8-19(25)9-7-18/h6-11,17H,2-5,12-16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide has a molecular weight of 427.52 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 42757051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).