4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride

C16H22ClFN2O2 — CID 119462905

IUPAC4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCl.O=C(CCC(=O)c1ccc(F)cc1)NCC1CCCNC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-14-5-3-13(4-6-14)15(20)7-8-16(21)19-11-12-2-1-9-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H,19,21);1H
InChIKeyKAFQKPRGRHLATC-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.33
Rot. Bonds6

About 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride

4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (PubChem CID 119462905) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
PubChem CID119462905
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCl.O=C(CCC(=O)c1ccc(F)cc1)NCC1CCCNC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-14-5-3-13(4-6-14)15(20)7-8-16(21)19-11-12-2-1-9-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H,19,21);1H
InChIKeyKAFQKPRGRHLATC-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 86813740
4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
CID 47187587
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119557544
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 119461471
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide;hydrochloride
CID 86779934

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (CID 119462905) is 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is Cl.O=C(CCC(=O)c1ccc(F)cc1)NCC1CCCNC1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The InChIKey is KAFQKPRGRHLATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c17-14-5-3-13(4-6-14)15(20)7-8-16(21)19-11-12-2-1-9-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H,19,21);1H.
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride has a molecular weight of 328.81 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119462905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).