N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide

C22H24N4O4 — CID 134010957

IUPACN-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H24N4O4/c1-14(27)23-16-7-8-19(29-2)18(13-16)24-21(28)15-9-11-26(12-10-15)22-25-17-5-3-4-6-20(17)30-22/h3-8,13,15H,9-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyQDPLJFLITCYPJG-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.65
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide (PubChem CID 134010957) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
PubChem CID134010957
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H24N4O4/c1-14(27)23-16-7-8-19(29-2)18(13-16)24-21(28)15-9-11-26(12-10-15)22-25-17-5-3-4-6-20(17)30-22/h3-8,13,15H,9-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyQDPLJFLITCYPJG-UHFFFAOYSA-N
XLogP3.65
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(1,3-benzoxazol-2-yl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 78887350
N-(3-amino-4-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119420166
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
CID 34837675
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
methyl 3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 24684211
(4-acetyl-2-methoxyphenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16594826
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide (CID 134010957) is N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QDPLJFLITCYPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(27)23-16-7-8-19(29-2)18(13-16)24-21(28)15-9-11-26(12-10-15)22-25-17-5-3-4-6-20(17)30-22/h3-8,13,15H,9-12H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 134010957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).