3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one

C23H31N5O2 — CID 126898388

IUPAC3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESO=C1CCCC(CN2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)N1
InChIInChI=1S/C23H31N5O2/c29-22-7-3-4-17(25-22)15-26-10-12-27(13-11-26)19-8-9-20-21(14-19)24-16-28(23(20)30)18-5-1-2-6-18/h8-9,14,16-18H,1-7,10-13,15H2,(H,25,29)
InChIKeyJFRSNGOCPPLBHU-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.30
Rot. Bonds4

About 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one

3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126898388) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126898388
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESO=C1CCCC(CN2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)N1
InChIInChI=1S/C23H31N5O2/c29-22-7-3-4-17(25-22)15-26-10-12-27(13-11-26)19-8-9-20-21(14-19)24-16-28(23(20)30)18-5-1-2-6-18/h8-9,14,16-18H,1-7,10-13,15H2,(H,25,29)
InChIKeyJFRSNGOCPPLBHU-UHFFFAOYSA-N
XLogP2.30
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one with MolForge

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Related Compounds

3-(2,2-difluoroethyl)-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898061
3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898477
3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898464
3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898408
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898520
7-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]azepan-2-one
CID 126896117
7-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]azepan-2-one
CID 126895768
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
3-(cyclopropylmethyl)-7-[4-(oxolan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897874

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one (CID 126898388) is 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one is O=C1CCCC(CN2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)N1.
What is the InChIKey of 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is JFRSNGOCPPLBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c29-22-7-3-4-17(25-22)15-26-10-12-27(13-11-26)19-8-9-20-21(14-19)24-16-28(23(20)30)18-5-1-2-6-18/h8-9,14,16-18H,1-7,10-13,15H2,(H,25,29).
What are the key properties of 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?
3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 409.53 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).