N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide

C23H28FN3O2 — CID 131918642

IUPACN-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(c2ccc(F)cc2)N2CCCCC2)c(C)c1
InChIInChI=1S/C23H28FN3O2/c1-3-21(28)25-19-11-12-20(16(2)15-19)26-23(29)22(27-13-5-4-6-14-27)17-7-9-18(24)10-8-17/h7-12,15,22H,3-6,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDWUAQOVSJZUTSC-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.65
Rot. Bonds6

About N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide

N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide (PubChem CID 131918642) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide
PubChem CID131918642
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(c2ccc(F)cc2)N2CCCCC2)c(C)c1
InChIInChI=1S/C23H28FN3O2/c1-3-21(28)25-19-11-12-20(16(2)15-19)26-23(29)22(27-13-5-4-6-14-27)17-7-9-18(24)10-8-17/h7-12,15,22H,3-6,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDWUAQOVSJZUTSC-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide 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-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 3520877
2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
CID 131937524
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide
CID 91832556
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
N-[3-methyl-4-(1,2,2-tricyanoethenylamino)phenyl]propanamide
CID 168607107
tert-butyl 4-[1-(4-fluorophenyl)-2-(4-methylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 171716497
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
CID 93242397
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
(2S)-2-(4-fluorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-piperidin-1-ylacetamide
CID 124728340
N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide
CID 47039759

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide (CID 131918642) is N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)C(c2ccc(F)cc2)N2CCCCC2)c(C)c1.
What is the InChIKey of N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide?
The InChIKey is DWUAQOVSJZUTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-3-21(28)25-19-11-12-20(16(2)15-19)26-23(29)22(27-13-5-4-6-14-27)17-7-9-18(24)10-8-17/h7-12,15,22H,3-6,13-14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide?
N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide has a molecular weight of 397.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-fluorophenyl)-2-piperidin-1-ylacetyl]amino]-3-methylphenyl]propanamide is sourced from PubChem (CID 131918642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).