3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one

C18H26N4O — CID 18321434

IUPAC3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C18H26N4O/c23-18-20-17-4-2-1-3-14(17)13-22(18)16-7-11-21(12-8-16)15-5-9-19-10-6-15/h1-4,15-16,19H,5-13H2,(H,20,23)
InChIKeyMKWAEQIRJPNEIO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.25
Rot. Bonds2

About 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one

3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 18321434) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID18321434
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C18H26N4O/c23-18-20-17-4-2-1-3-14(17)13-22(18)16-7-11-21(12-8-16)15-5-9-19-10-6-15/h1-4,15-16,19H,5-13H2,(H,20,23)
InChIKeyMKWAEQIRJPNEIO-UHFFFAOYSA-N
XLogP2.25
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one (CID 18321434) is 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2CN1C1CCN(C2CCNCC2)CC1.
What is the InChIKey of 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is MKWAEQIRJPNEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c23-18-20-17-4-2-1-3-14(17)13-22(18)16-7-11-21(12-8-16)15-5-9-19-10-6-15/h1-4,15-16,19H,5-13H2,(H,20,23).
What are the key properties of 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one?
3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 18321434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).