N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

C23H29FN4O4 — CID 53168491

IUPACN-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)cc1F
InChIInChI=1S/C23H29FN4O4/c1-15-20(22(29)27-10-4-3-5-11-27)26-21(32-15)16-8-12-28(13-9-16)23(30)25-17-6-7-19(31-2)18(24)14-17/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,25,30)
InChIKeyBGZCUBWDGBWVAM-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.17
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 53168491) has the molecular formula C23H29FN4O4 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID53168491
Molecular FormulaC23H29FN4O4
Molecular Weight444.51 g/mol
Exact Mass444.22
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)cc1F
InChIInChI=1S/C23H29FN4O4/c1-15-20(22(29)27-10-4-3-5-11-27)26-21(32-15)16-8-12-28(13-9-16)23(30)25-17-6-7-19(31-2)18(24)14-17/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,25,30)
InChIKeyBGZCUBWDGBWVAM-UHFFFAOYSA-N
XLogP4.17
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837590
N-(2,4-dimethylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837584
N-(2-chloro-4-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837596
(2,5-difluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837787
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 71837780
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168372
(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837767
(2,4-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837736
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540009
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 53168491) is N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is BGZCUBWDGBWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4/c1-15-20(22(29)27-10-4-3-5-11-27)26-21(32-15)16-8-12-28(13-9-16)23(30)25-17-6-7-19(31-2)18(24)14-17/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,25,30).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53168491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).