3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride

C18H28ClFN2O2 — CID 120889158

IUPAC3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
SMILESCOCC1(CNC(=O)CC(C)c2ccc(F)cc2)CCNCC1.Cl
InChIInChI=1S/C18H27FN2O2.ClH/c1-14(15-3-5-16(19)6-4-15)11-17(22)21-12-18(13-23-2)7-9-20-10-8-18;/h3-6,14,20H,7-13H2,1-2H3,(H,21,22);1H
InChIKeyCOIRDBBHTKUGLT-UHFFFAOYSA-N
MW358.88 g/mol
LogP2.87
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride

3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride (PubChem CID 120889158) has the molecular formula C18H28ClFN2O2 and a molecular weight of 358.88 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
PubChem CID120889158
Molecular FormulaC18H28ClFN2O2
Molecular Weight358.88 g/mol
Exact Mass358.18
IUPAC Name3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
SMILESCOCC1(CNC(=O)CC(C)c2ccc(F)cc2)CCNCC1.Cl
InChIInChI=1S/C18H27FN2O2.ClH/c1-14(15-3-5-16(19)6-4-15)11-17(22)21-12-18(13-23-2)7-9-20-10-8-18;/h3-6,14,20H,7-13H2,1-2H3,(H,21,22);1H
InChIKeyCOIRDBBHTKUGLT-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.88
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120887469
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4,4-trimethylpentanamide
CID 120890413
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
2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120889999

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride (CID 120889158) is 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride is COCC1(CNC(=O)CC(C)c2ccc(F)cc2)CCNCC1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride?
The InChIKey is COIRDBBHTKUGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2.ClH/c1-14(15-3-5-16(19)6-4-15)11-17(22)21-12-18(13-23-2)7-9-20-10-8-18;/h3-6,14,20H,7-13H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride?
3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride has a molecular weight of 358.88 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120889158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).