3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid

C18H26N4O5 — CID 74505751

IUPAC3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)CC2CCNCC2Cc2cc(C(=O)O)on2)CC1
InChIInChI=1S/C18H26N4O5/c19-17(24)11-2-5-22(6-3-11)16(23)8-12-1-4-20-10-13(12)7-14-9-15(18(25)26)27-21-14/h9,11-13,20H,1-8,10H2,(H2,19,24)(H,25,26)
InChIKeyNOMUKXLQULQNCX-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.25
Rot. Bonds6

About 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid

3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 74505751) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID74505751
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)CC2CCNCC2Cc2cc(C(=O)O)on2)CC1
InChIInChI=1S/C18H26N4O5/c19-17(24)11-2-5-22(6-3-11)16(23)8-12-1-4-20-10-13(12)7-14-9-15(18(25)26)27-21-14/h9,11-13,20H,1-8,10H2,(H2,19,24)(H,25,26)
InChIKeyNOMUKXLQULQNCX-UHFFFAOYSA-N
XLogP0.25
TPSA138.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid with MolForge

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Related Compounds

2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 26743116
2-[3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 74506189
2-[(3S,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162795869
2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 74734812
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-benzylpiperidin-1-yl)ethanone
CID 163134296
1-(4-benzylpiperidin-1-yl)-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 26743352
2-[(3R,4S)-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 25314198
1-(4-benzylpiperazin-1-yl)-2-[(3R,4R)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 163096776
1-(4-benzylpiperazin-1-yl)-2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanone
CID 162796702
1-(4-methylpiperazin-1-yl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 26743108
2-[3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 74419204
1-(4-benzylpiperazin-1-yl)-2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 74506307

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid (CID 74505751) is 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid is NC(=O)C1CCN(C(=O)CC2CCNCC2Cc2cc(C(=O)O)on2)CC1.
What is the InChIKey of 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is NOMUKXLQULQNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c19-17(24)11-2-5-22(6-3-11)16(23)8-12-1-4-20-10-13(12)7-14-9-15(18(25)26)27-21-14/h9,11-13,20H,1-8,10H2,(H2,19,24)(H,25,26).
What are the key properties of 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid?
3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 74505751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).