2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid

C18H21N3O5 — CID 134698273

IUPAC2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(CNC(=O)C2CCN(c3nc(C(=O)O)co3)CC2)cc1
InChIInChI=1S/C18H21N3O5/c1-25-14-4-2-12(3-5-14)10-19-16(22)13-6-8-21(9-7-13)18-20-15(11-26-18)17(23)24/h2-5,11,13H,6-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyDOHXSRKUPQBWPZ-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.91
Rot. Bonds6

About 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid

2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 134698273) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID134698273
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(CNC(=O)C2CCN(c3nc(C(=O)O)co3)CC2)cc1
InChIInChI=1S/C18H21N3O5/c1-25-14-4-2-12(3-5-14)10-19-16(22)13-6-8-21(9-7-13)18-20-15(11-26-18)17(23)24/h2-5,11,13H,6-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyDOHXSRKUPQBWPZ-UHFFFAOYSA-N
XLogP1.91
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-(1,3-dioxolan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 171907624
1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341587
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133485103
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide
CID 171913395
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 133341503

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid (CID 134698273) is 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid is COc1ccc(CNC(=O)C2CCN(c3nc(C(=O)O)co3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is DOHXSRKUPQBWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-25-14-4-2-12(3-5-14)10-19-16(22)13-6-8-21(9-7-13)18-20-15(11-26-18)17(23)24/h2-5,11,13H,6-10H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134698273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).