N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide

C18H25FN2O2 — CID 110820768

IUPACN-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)11-17(22)20-16-7-9-21(10-8-16)18(23)12-14-3-5-15(19)6-4-14/h3-6,13,16H,7-12H2,1-2H3,(H,20,22)
InChIKeyTYZNXXDFPDRPOO-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds5

About N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide

N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide (PubChem CID 110820768) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
PubChem CID110820768
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)11-17(22)20-16-7-9-21(10-8-16)18(23)12-14-3-5-15(19)6-4-14/h3-6,13,16H,7-12H2,1-2H3,(H,20,22)
InChIKeyTYZNXXDFPDRPOO-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820676
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558137
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 143745573
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 110725389

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide (CID 110820768) is N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide?
The InChIKey is TYZNXXDFPDRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(2)11-17(22)20-16-7-9-21(10-8-16)18(23)12-14-3-5-15(19)6-4-14/h3-6,13,16H,7-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide?
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 110820768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).