N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide

C21H22FN3O3 — CID 32508951

IUPACN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H22FN3O3/c1-14(26)23-19-4-2-3-16(13-19)21(28)25-11-9-18(10-12-25)24-20(27)15-5-7-17(22)8-6-15/h2-8,13,18H,9-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyTUSITCJGTZGSQJ-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.82
Rot. Bonds4

About N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide (PubChem CID 32508951) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
PubChem CID32508951
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H22FN3O3/c1-14(26)23-19-4-2-3-16(13-19)21(28)25-11-9-18(10-12-25)24-20(27)15-5-7-17(22)8-6-15/h2-8,13,18H,9-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyTUSITCJGTZGSQJ-UHFFFAOYSA-N
XLogP2.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555614
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108553848
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
2-chloroethyl N-[1-(3-acetamidobenzoyl)piperidin-4-yl]carbamate
CID 108565532

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide (CID 32508951) is N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide is CC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is TUSITCJGTZGSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-14(26)23-19-4-2-3-16(13-19)21(28)25-11-9-18(10-12-25)24-20(27)15-5-7-17(22)8-6-15/h2-8,13,18H,9-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide?
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 383.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 32508951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).