N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide

C24H31FN2O3 — CID 25368960

IUPACN-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2cccc(OCCO)c2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O3/c25-22-7-4-20(5-8-22)17-26-24(29)9-6-19-10-12-27(13-11-19)18-21-2-1-3-23(16-21)30-15-14-28/h1-5,7-8,16,19,28H,6,9-15,17-18H2,(H,26,29)
InChIKeyGIYUVEDPWMEUFY-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.51
Rot. Bonds10

About N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 25368960) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID25368960
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2cccc(OCCO)c2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O3/c25-22-7-4-20(5-8-22)17-26-24(29)9-6-19-10-12-27(13-11-19)18-21-2-1-3-23(16-21)30-15-14-28/h1-5,7-8,16,19,28H,6,9-15,17-18H2,(H,26,29)
InChIKeyGIYUVEDPWMEUFY-UHFFFAOYSA-N
XLogP3.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 25451605
N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 42509972
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
CID 25037634
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide
CID 56552060
3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035366
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
methyl 2-[4-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]phenyl]acetate;hydrochloride
CID 171711182
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42525374

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide (CID 25368960) is N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(Cc2cccc(OCCO)c2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is GIYUVEDPWMEUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c25-22-7-4-20(5-8-22)17-26-24(29)9-6-19-10-12-27(13-11-19)18-21-2-1-3-23(16-21)30-15-14-28/h1-5,7-8,16,19,28H,6,9-15,17-18H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 414.52 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 25368960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).