N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide

C24H29FN2O2 — CID 16673781

IUPACN-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide
SMILESC=C(C)COc1cccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H29FN2O2/c1-18(2)17-29-23-6-4-5-20(15-23)16-27-13-11-24(12-14-27,26-19(3)28)21-7-9-22(25)10-8-21/h4-10,15H,1,11-14,16-17H2,2-3H3,(H,26,28)
InChIKeyJWCPJKHZCGHRQB-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.41
Rot. Bonds7

About N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide

N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 16673781) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID16673781
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC NameN-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide
SMILESC=C(C)COc1cccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H29FN2O2/c1-18(2)17-29-23-6-4-5-20(15-23)16-27-13-11-24(12-14-27,26-19(3)28)21-7-9-22(25)10-8-21/h4-10,15H,1,11-14,16-17H2,2-3H3,(H,26,28)
InChIKeyJWCPJKHZCGHRQB-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide
CID 46955109
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
CID 16677696
N-[1-[[(2S)-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 92584365
N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 16673789
N-[4-(4-fluorophenyl)-1-[(2-piperidin-1-ylphenyl)methyl]piperidin-4-yl]acetamide
CID 16673788
N-[4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110221431
N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide
CID 143477247
N-[4-(2-fluorophenyl)-1-[(3-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671352
N-[4-(4-fluorophenyl)-1-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671507
N-[1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670474
N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
CID 71111619

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide (CID 16673781) is N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide is C=C(C)COc1cccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is JWCPJKHZCGHRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-18(2)17-29-23-6-4-5-20(15-23)16-27-13-11-24(12-14-27,26-19(3)28)21-7-9-22(25)10-8-21/h4-10,15H,1,11-14,16-17H2,2-3H3,(H,26,28).
What are the key properties of N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide?
N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 16673781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).