[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone

C25H28N4O — CID 27816575

IUPAC[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCCCC1
InChIInChI=1S/C25H28N4O/c30-24(28-15-7-2-8-16-28)20-13-17-29(18-14-20)25-26-22-12-6-5-11-21(22)23(27-25)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18H2
InChIKeySGIUEBLBOGTURW-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.53
Rot. Bonds3

About [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 27816575) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID27816575
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCCCC1
InChIInChI=1S/C25H28N4O/c30-24(28-15-7-2-8-16-28)20-13-17-29(18-14-20)25-26-22-12-6-5-11-21(22)23(27-25)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18H2
InChIKeySGIUEBLBOGTURW-UHFFFAOYSA-N
XLogP4.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 27816575) is [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCCCC1.
What is the InChIKey of [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is SGIUEBLBOGTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-24(28-15-7-2-8-16-28)20-13-17-29(18-14-20)25-26-22-12-6-5-11-21(22)23(27-25)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18H2.
What are the key properties of [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 400.53 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 27816575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).