N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide

C18H25FN2O3 — CID 129345351

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CCN(C(=O)NC[C@H]2COCCO2)CC1
InChIInChI=1S/C18H25FN2O3/c1-13-10-15(19)2-3-17(13)14-4-6-21(7-5-14)18(22)20-11-16-12-23-8-9-24-16/h2-3,10,14,16H,4-9,11-12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyIWUXEGYOOJYDPU-INIZCTEOSA-N
MW336.41 g/mol
LogP2.44
Rot. Bonds3

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide

N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide (PubChem CID 129345351) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide
PubChem CID129345351
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CCN(C(=O)NC[C@H]2COCCO2)CC1
InChIInChI=1S/C18H25FN2O3/c1-13-10-15(19)2-3-17(13)14-4-6-21(7-5-14)18(22)20-11-16-12-23-8-9-24-16/h2-3,10,14,16H,4-9,11-12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyIWUXEGYOOJYDPU-INIZCTEOSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide 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

N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
4-[4-(4-Fluorophenyl)piperidine-1-carbonyl]morpholine
CID 6488724
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
CID 71856970
5,8-difluoro-N-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71923072
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71976445
4-(2-Ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91907793
N-(4-fluorobenzyl)-4-(2-methoxyethoxy)tetrahydro-1(2H)-pyridinecarboxamide
CID 91918293
N-2-methoxyethyl-(R)-3-(p-fluorophenyl)-1-azepanecarboxamide
CID 99873301
4-[(3-Fluorophenyl)methyl]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 124053252
(4aR,8aS)-6-[3-[2-(2-fluoro-6-methylphenyl)ethyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 172469874
1-((1,4-Dioxan-2-yl)methyl)-1-methyl-3-phenethylurea
CID 71801594
4-(2-methoxyethoxy)-N-phenethyltetrahydro-1(2H)-pyridinecarboxamide
CID 91918292

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide (CID 129345351) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide is Cc1cc(F)ccc1C1CCN(C(=O)NC[C@H]2COCCO2)CC1.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is IWUXEGYOOJYDPU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-13-10-15(19)2-3-17(13)14-4-6-21(7-5-14)18(22)20-11-16-12-23-8-9-24-16/h2-3,10,14,16H,4-9,11-12H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 129345351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).