(6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C19H23N3O2 — CID 24771245

IUPAC(6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15(2)21-10-12-22(13-11-21)19(23)16-8-9-18(20-14-16)24-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyOLELQSFJQQFHFK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.04
Rot. Bonds4

About (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24771245) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24771245
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15(2)21-10-12-22(13-11-21)19(23)16-8-9-18(20-14-16)24-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyOLELQSFJQQFHFK-UHFFFAOYSA-N
XLogP3.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24771245) is (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1.
What is the InChIKey of (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is OLELQSFJQQFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(2)21-10-12-22(13-11-21)19(23)16-8-9-18(20-14-16)24-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenoxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24771245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).