4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide

C22H24N4O3 — CID 140934019

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C22H24N4O3/c1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h3-4,7-11,13,17,23H,5-6,12,14H2,1-2H3/t17-/m1/s1
InChIKeyZZCIMQCYMXTLRM-QGZVFWFLSA-N
MW392.46 g/mol
LogP2.56
Rot. Bonds4

About 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide (PubChem CID 140934019) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide
PubChem CID140934019
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C22H24N4O3/c1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h3-4,7-11,13,17,23H,5-6,12,14H2,1-2H3/t17-/m1/s1
InChIKeyZZCIMQCYMXTLRM-QGZVFWFLSA-N
XLogP2.56
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide (CID 140934019) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide is CC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1=O.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is ZZCIMQCYMXTLRM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h3-4,7-11,13,17,23H,5-6,12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 392.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 140934019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).