2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide

C22H24N4O3 — CID 55354015

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3o2)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C22H24N4O3/c27-20(25-22(28)23-14-16-6-2-1-3-7-16)15-26-12-10-17(11-13-26)21-24-18-8-4-5-9-19(18)29-21/h1-9,17H,10-15H2,(H2,23,25,27,28)
InChIKeyXZVDMRAHUHOXFI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide (PubChem CID 55354015) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide
PubChem CID55354015
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3o2)CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C22H24N4O3/c27-20(25-22(28)23-14-16-6-2-1-3-7-16)15-26-12-10-17(11-13-26)21-24-18-8-4-5-9-19(18)29-21/h1-9,17H,10-15H2,(H2,23,25,27,28)
InChIKeyXZVDMRAHUHOXFI-UHFFFAOYSA-N
XLogP3.03
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 55354119
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 55354087
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 16577327
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 55354137
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
CID 55525539
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 55410498
4-(1,3-benzoxazol-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55798834
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
1-[1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 55502915

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide (CID 55354015) is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide is O=C(CN1CCC(c2nc3ccccc3o2)CC1)NC(=O)NCc1ccccc1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide?
The InChIKey is XZVDMRAHUHOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20(25-22(28)23-14-16-6-2-1-3-7-16)15-26-12-10-17(11-13-26)21-24-18-8-4-5-9-19(18)29-21/h1-9,17H,10-15H2,(H2,23,25,27,28).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide?
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide is sourced from PubChem (CID 55354015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).