N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide

C28H35N5O3 — CID 26347607

IUPACN-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3cc(-c4ccccc4)on3)CC2)cc1
InChIInChI=1S/C28H35N5O3/c34-28(29-12-15-32-16-18-35-19-17-32)23-6-8-26(9-7-23)33-13-10-24(11-14-33)30-21-25-20-27(36-31-25)22-4-2-1-3-5-22/h1-9,20,24,30H,10-19,21H2,(H,29,34)
InChIKeyYFDPKTGFNQGOGZ-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.16
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide

N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide (PubChem CID 26347607) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide
PubChem CID26347607
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3cc(-c4ccccc4)on3)CC2)cc1
InChIInChI=1S/C28H35N5O3/c34-28(29-12-15-32-16-18-35-19-17-32)23-6-8-26(9-7-23)33-13-10-24(11-14-33)30-21-25-20-27(36-31-25)22-4-2-1-3-5-22/h1-9,20,24,30H,10-19,21H2,(H,29,34)
InChIKeyYFDPKTGFNQGOGZ-UHFFFAOYSA-N
XLogP3.16
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide (CID 26347607) is N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide is O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3cc(-c4ccccc4)on3)CC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide?
The InChIKey is YFDPKTGFNQGOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c34-28(29-12-15-32-16-18-35-19-17-32)23-6-8-26(9-7-23)33-13-10-24(11-14-33)30-21-25-20-27(36-31-25)22-4-2-1-3-5-22/h1-9,20,24,30H,10-19,21H2,(H,29,34).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide?
N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide has a molecular weight of 489.62 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 26347607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).