3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide

C20H29FN2O2 — CID 91913401

IUPAC3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H29FN2O2/c1-15(2)9-12-22-19(24)8-7-16-10-13-23(14-11-16)20(25)17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3,(H,22,24)
InChIKeyGTNVGQAOWYBNRO-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.62
Rot. Bonds7

About 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide

3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide (PubChem CID 91913401) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
PubChem CID91913401
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H29FN2O2/c1-15(2)9-12-22-19(24)8-7-16-10-13-23(14-11-16)20(25)17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3,(H,22,24)
InChIKeyGTNVGQAOWYBNRO-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Amylase
CID 71475145
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
N-Propylbenzamide
CID 25354
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
N-Ethylbenzamide
CID 11959
N,N'-dibenzoylpiperazine
CID 80185
N-Butylbenzamide
CID 76024
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide (CID 91913401) is 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is GTNVGQAOWYBNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-15(2)9-12-22-19(24)8-7-16-10-13-23(14-11-16)20(25)17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3,(H,22,24).
What are the key properties of 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide?
3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 348.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 91913401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).