5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one

C24H29N5O2 — CID 45269247

IUPAC5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)oc(=O)c12
InChIInChI=1S/C24H29N5O2/c1-17-5-3-7-20-21(17)24(30)31-23(26-20)19-6-4-10-25-22(19)29-15-13-28(14-16-29)18-8-11-27(2)12-9-18/h3-7,10,18H,8-9,11-16H2,1-2H3
InChIKeyLHSFZFBHRNZRTA-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.77
Rot. Bonds3

About 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one

5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one (PubChem CID 45269247) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
PubChem CID45269247
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)oc(=O)c12
InChIInChI=1S/C24H29N5O2/c1-17-5-3-7-20-21(17)24(30)31-23(26-20)19-6-4-10-25-22(19)29-15-13-28(14-16-29)18-8-11-27(2)12-9-18/h3-7,10,18H,8-9,11-16H2,1-2H3
InChIKeyLHSFZFBHRNZRTA-UHFFFAOYSA-N
XLogP2.77
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The IUPAC name of 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one (CID 45269247) is 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)oc(=O)c12.
What is the InChIKey of 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The InChIKey is LHSFZFBHRNZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-5-3-7-20-21(17)24(30)31-23(26-20)19-6-4-10-25-22(19)29-15-13-28(14-16-29)18-8-11-27(2)12-9-18/h3-7,10,18H,8-9,11-16H2,1-2H3.
What are the key properties of 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one has a molecular weight of 419.53 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 45269247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).