4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine

C17H23N5O — CID 162798803

IUPAC4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
SMILESc1cncc(-c2cnc(C3COCCN3C3CCNCC3)[nH]2)c1
InChIInChI=1S/C17H23N5O/c1-2-13(10-19-5-1)15-11-20-17(21-15)16-12-23-9-8-22(16)14-3-6-18-7-4-14/h1-2,5,10-11,14,16,18H,3-4,6-9,12H2,(H,20,21)
InChIKeyVYTNHUCSTAZXRJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.60
Rot. Bonds3

About 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine

4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine (PubChem CID 162798803) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
PubChem CID162798803
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
SMILESc1cncc(-c2cnc(C3COCCN3C3CCNCC3)[nH]2)c1
InChIInChI=1S/C17H23N5O/c1-2-13(10-19-5-1)15-11-20-17(21-15)16-12-23-9-8-22(16)14-3-6-18-7-4-14/h1-2,5,10-11,14,16,18H,3-4,6-9,12H2,(H,20,21)
InChIKeyVYTNHUCSTAZXRJ-UHFFFAOYSA-N
XLogP1.60
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine (CID 162798803) is 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine is c1cncc(-c2cnc(C3COCCN3C3CCNCC3)[nH]2)c1.
What is the InChIKey of 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The InChIKey is VYTNHUCSTAZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-13(10-19-5-1)15-11-20-17(21-15)16-12-23-9-8-22(16)14-3-6-18-7-4-14/h1-2,5,10-11,14,16,18H,3-4,6-9,12H2,(H,20,21).
What are the key properties of 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine has a molecular weight of 313.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 162798803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).