7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one

C19H28N4O2 — CID 39163399

IUPAC7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(N3CCNCC3)ccc2N1CCN1CCCCC1
InChIInChI=1S/C19H28N4O2/c24-19-15-25-18-14-16(22-10-6-20-7-11-22)4-5-17(18)23(19)13-12-21-8-2-1-3-9-21/h4-5,14,20H,1-3,6-13,15H2
InChIKeyMJDHOMNICJUZFP-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.31
Rot. Bonds4

About 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one

7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 39163399) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID39163399
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(N3CCNCC3)ccc2N1CCN1CCCCC1
InChIInChI=1S/C19H28N4O2/c24-19-15-25-18-14-16(22-10-6-20-7-11-22)4-5-17(18)23(19)13-12-21-8-2-1-3-9-21/h4-5,14,20H,1-3,6-13,15H2
InChIKeyMJDHOMNICJUZFP-UHFFFAOYSA-N
XLogP1.31
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (CID 39163399) is 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is O=C1COc2cc(N3CCNCC3)ccc2N1CCN1CCCCC1.
What is the InChIKey of 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is MJDHOMNICJUZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-19-15-25-18-14-16(22-10-6-20-7-11-22)4-5-17(18)23(19)13-12-21-8-2-1-3-9-21/h4-5,14,20H,1-3,6-13,15H2.
What are the key properties of 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 344.46 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 39163399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).