N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide

C19H27FN2O2 — CID 110819897

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-19(2,3)18(24)22-12-10-16(11-13-22)21-17(23)9-6-14-4-7-15(20)8-5-14/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,21,23)
InChIKeyLIUSTXHGTHPQRO-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide (PubChem CID 110819897) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
PubChem CID110819897
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O2/c1-19(2,3)18(24)22-12-10-16(11-13-22)21-17(23)9-6-14-4-7-15(20)8-5-14/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,21,23)
InChIKeyLIUSTXHGTHPQRO-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
3-(4-chlorophenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108556549
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
CID 173093781
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108922373
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hydroxybutanamide
CID 79204128
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide (CID 110819897) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide is CC(C)(C)C(=O)N1CCC(NC(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide?
The InChIKey is LIUSTXHGTHPQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-19(2,3)18(24)22-12-10-16(11-13-22)21-17(23)9-6-14-4-7-15(20)8-5-14/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide has a molecular weight of 334.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110819897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).