N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride

C18H29ClFN3O2 — CID 119918143

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1.Cl
InChIInChI=1S/C18H28FN3O2.ClH/c1-13(22-9-5-6-15(12-22)20-2)18(23)21(3)11-14-7-8-17(24-4)16(19)10-14;/h7-8,10,13,15,20H,5-6,9,11-12H2,1-4H3;1H
InChIKeyZJHBPWWBORQUCG-UHFFFAOYSA-N
MW373.90 g/mol
LogP2.29
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride (PubChem CID 119918143) has the molecular formula C18H29ClFN3O2 and a molecular weight of 373.90 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
PubChem CID119918143
Molecular FormulaC18H29ClFN3O2
Molecular Weight373.90 g/mol
Exact Mass373.19
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1.Cl
InChIInChI=1S/C18H28FN3O2.ClH/c1-13(22-9-5-6-15(12-22)20-2)18(23)21(3)11-14-7-8-17(24-4)16(19)10-14;/h7-8,10,13,15,20H,5-6,9,11-12H2,1-4H3;1H
InChIKeyZJHBPWWBORQUCG-UHFFFAOYSA-N
XLogP2.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110884207
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119919588
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
CID 86959410
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]propanamide
CID 86879216
(2S)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 9451586
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpentyl)urea
CID 134006475
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 94453979
N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795729
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride (CID 119918143) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride is CNC1CCCN(C(C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1.Cl.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The InChIKey is ZJHBPWWBORQUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2.ClH/c1-13(22-9-5-6-15(12-22)20-2)18(23)21(3)11-14-7-8-17(24-4)16(19)10-14;/h7-8,10,13,15,20H,5-6,9,11-12H2,1-4H3;1H.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride has a molecular weight of 373.90 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 119918143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).