2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C21H28N4O4 — CID 71837657

IUPAC2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-5-28-17-8-6-16(7-9-17)22-21(27)25-12-10-15(11-13-25)19-23-18(14(2)29-19)20(26)24(3)4/h6-9,15H,5,10-13H2,1-4H3,(H,22,27)
InChIKeyFQHCOSLEOFHJTO-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.50
Rot. Bonds5

About 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71837657) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71837657
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-5-28-17-8-6-16(7-9-17)22-21(27)25-12-10-15(11-13-25)19-23-18(14(2)29-19)20(26)24(3)4/h6-9,15H,5,10-13H2,1-4H3,(H,22,27)
InChIKeyFQHCOSLEOFHJTO-UHFFFAOYSA-N
XLogP3.50
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837590
N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837826
1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 20955888
N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781139
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
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CID 7165091
N-(4-ethoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760936
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71837657) is 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is CCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1.
What is the InChIKey of 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is FQHCOSLEOFHJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-5-28-17-8-6-16(7-9-17)22-21(27)25-12-10-15(11-13-25)19-23-18(14(2)29-19)20(26)24(3)4/h6-9,15H,5,10-13H2,1-4H3,(H,22,27).
What are the key properties of 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).