N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide

C20H29FN2O2 — CID 110822684

IUPACN-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O2/c1-20(2,3)14-18(24)22-17-9-11-23(12-10-17)19(25)8-7-15-5-4-6-16(21)13-15/h4-6,13,17H,7-12,14H2,1-3H3,(H,22,24)
InChIKeyPZZLIRBAOLKNLE-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.30
Rot. Bonds5

About N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide

N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 110822684) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID110822684
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O2/c1-20(2,3)14-18(24)22-17-9-11-23(12-10-17)19(25)8-7-15-5-4-6-16(21)13-15/h4-6,13,17H,7-12,14H2,1-3H3,(H,22,24)
InChIKeyPZZLIRBAOLKNLE-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819641
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
N-cyclopentyl-4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811802
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848187
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide (CID 110822684) is N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCN(C(=O)CCc2cccc(F)c2)CC1.
What is the InChIKey of N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is PZZLIRBAOLKNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-20(2,3)14-18(24)22-17-9-11-23(12-10-17)19(25)8-7-15-5-4-6-16(21)13-15/h4-6,13,17H,7-12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide?
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 348.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110822684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).