N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide

C24H30FN3O2 — CID 3646129

IUPACN-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCCC1
InChIInChI=1S/C24H30FN3O2/c1-3-17(2)26-24(30)21-16-20(11-12-22(21)28-13-5-4-6-14-28)27-23(29)15-18-7-9-19(25)10-8-18/h7-12,16-17H,3-6,13-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyJBSHEWDYUNOEOF-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.53
Rot. Bonds7

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

N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide (PubChem CID 3646129) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
PubChem CID3646129
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCCC1
InChIInChI=1S/C24H30FN3O2/c1-3-17(2)26-24(30)21-16-20(11-12-22(21)28-13-5-4-6-14-28)27-23(29)15-18-7-9-19(25)10-8-18/h7-12,16-17H,3-6,13-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyJBSHEWDYUNOEOF-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
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

5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751065
N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065117
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
5-[[2-(4-fluorophenyl)acetyl]amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 42752794
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059189
N-[(2R)-butan-2-yl]-5-(2,2-dimethylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 7129874
N-[(2S)-butan-2-yl]-5-(3-phenylpropanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 1059153
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42757051
N-(3-ethoxypropyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3442769
N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 5238984
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide (CID 3646129) is N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide is CCC(C)NC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCCC1.
What is the InChIKey of N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide?
The InChIKey is JBSHEWDYUNOEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-3-17(2)26-24(30)21-16-20(11-12-22(21)28-13-5-4-6-14-28)27-23(29)15-18-7-9-19(25)10-8-18/h7-12,16-17H,3-6,13-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide?
N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide has a molecular weight of 411.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3646129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).