3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one

C22H26FN3O2 — CID 10833846

IUPAC3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2cnc3c(c2=O)CCCC3)CC1
InChIInChI=1S/C22H26FN3O2/c23-18-7-5-16(6-8-18)21(27)17-9-11-25(12-10-17)13-14-26-15-24-20-4-2-1-3-19(20)22(26)28/h5-8,15,17H,1-4,9-14H2
InChIKeyDNSYNNHTQNELRN-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.86
Rot. Bonds5

About 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 10833846) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID10833846
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2cnc3c(c2=O)CCCC3)CC1
InChIInChI=1S/C22H26FN3O2/c23-18-7-5-16(6-8-18)21(27)17-9-11-25(12-10-17)13-14-26-15-24-20-4-2-1-3-19(20)22(26)28/h5-8,15,17H,1-4,9-14H2
InChIKeyDNSYNNHTQNELRN-UHFFFAOYSA-N
XLogP2.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 10833846) is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one is O=C(c1ccc(F)cc1)C1CCN(CCn2cnc3c(c2=O)CCCC3)CC1.
What is the InChIKey of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is DNSYNNHTQNELRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-18-7-5-16(6-8-18)21(27)17-9-11-25(12-10-17)13-14-26-15-24-20-4-2-1-3-19(20)22(26)28/h5-8,15,17H,1-4,9-14H2.
What are the key properties of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 383.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 10833846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).