4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride

C18H26ClFN2O3 — CID 120890290

IUPAC4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCC(=O)c2ccc(F)cc2)CCNCC1.Cl
InChIInChI=1S/C18H25FN2O3.ClH/c1-24-13-18(8-10-20-11-9-18)12-21-17(23)7-6-16(22)14-2-4-15(19)5-3-14;/h2-5,20H,6-13H2,1H3,(H,21,23);1H
InChIKeyCGIOEIGTPSCVBA-UHFFFAOYSA-N
MW372.87 g/mol
LogP2.34
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride

4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride (PubChem CID 120890290) has the molecular formula C18H26ClFN2O3 and a molecular weight of 372.87 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
PubChem CID120890290
Molecular FormulaC18H26ClFN2O3
Molecular Weight372.87 g/mol
Exact Mass372.16
IUPAC Name4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCC(=O)c2ccc(F)cc2)CCNCC1.Cl
InChIInChI=1S/C18H25FN2O3.ClH/c1-24-13-18(8-10-20-11-9-18)12-21-17(23)7-6-16(22)14-2-4-15(19)5-3-14;/h2-5,20H,6-13H2,1H3,(H,21,23);1H
InChIKeyCGIOEIGTPSCVBA-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120891250
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 120887528
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120889158
3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120892148
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120891910
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride (CID 120890290) is 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride is COCC1(CNC(=O)CCC(=O)c2ccc(F)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride?
The InChIKey is CGIOEIGTPSCVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3.ClH/c1-24-13-18(8-10-20-11-9-18)12-21-17(23)7-6-16(22)14-2-4-15(19)5-3-14;/h2-5,20H,6-13H2,1H3,(H,21,23);1H.
What are the key properties of 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride?
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride has a molecular weight of 372.87 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120890290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).