N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide

C22H30FN3O3 — CID 125169186

IUPACN-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1
InChIInChI=1S/C22H30FN3O3/c23-17-6-4-16(5-7-17)12-21(27)24-13-20-14-26(22(28)15-29-20)19-8-10-25(11-9-19)18-2-1-3-18/h4-7,18-20H,1-3,8-15H2,(H,24,27)/t20-/m0/s1
InChIKeyMDALSTHEYJCABF-FQEVSTJZSA-N
MW403.50 g/mol
LogP1.73
Rot. Bonds6

About N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide

N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 125169186) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID125169186
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC NameN-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1
InChIInChI=1S/C22H30FN3O3/c23-17-6-4-16(5-7-17)12-21(27)24-13-20-14-26(22(28)15-29-20)19-8-10-25(11-9-19)18-2-1-3-18/h4-7,18-20H,1-3,8-15H2,(H,24,27)/t20-/m0/s1
InChIKeyMDALSTHEYJCABF-FQEVSTJZSA-N
XLogP1.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
CID 110710097
N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 125177978
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide
CID 90635248
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 94890581
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
CID 125156221
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125178160
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide
CID 95157631
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide (CID 125169186) is N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1.
What is the InChIKey of N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is MDALSTHEYJCABF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30FN3O3/c23-17-6-4-16(5-7-17)12-21(27)24-13-20-14-26(22(28)15-29-20)19-8-10-25(11-9-19)18-2-1-3-18/h4-7,18-20H,1-3,8-15H2,(H,24,27)/t20-/m0/s1.
What are the key properties of N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 125169186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).