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

C24H33N5O2 — CID 126898477

IUPAC3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCN1CC(CN2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)CCC1=O
InChIInChI=1S/C24H33N5O2/c1-26-15-18(6-9-23(26)30)16-27-10-12-28(13-11-27)20-7-8-21-22(14-20)25-17-29(24(21)31)19-4-2-3-5-19/h7-8,14,17-19H,2-6,9-13,15-16H2,1H3
InChIKeyDZDLNCDZXAXQDD-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.50
Rot. Bonds4

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

3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126898477) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126898477
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCN1CC(CN2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)CCC1=O
InChIInChI=1S/C24H33N5O2/c1-26-15-18(6-9-23(26)30)16-27-10-12-28(13-11-27)20-7-8-21-22(14-20)25-17-29(24(21)31)19-4-2-3-5-19/h7-8,14,17-19H,2-6,9-13,15-16H2,1H3
InChIKeyDZDLNCDZXAXQDD-UHFFFAOYSA-N
XLogP2.50
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898388
3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898464
3-cyclopentyl-7-[4-(1-methyl-6-oxopyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898520
3-cyclopentyl-7-[4-[2-(2-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898408
1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
1-methyl-5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]piperidin-2-one
CID 138383037
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126896557
7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126897115
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897842
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897520
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 139599572

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one (CID 126898477) is 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one is CN1CC(CN2CCN(c3ccc4c(=O)n(C5CCCC5)cnc4c3)CC2)CCC1=O.
What is the InChIKey of 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is DZDLNCDZXAXQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-26-15-18(6-9-23(26)30)16-27-10-12-28(13-11-27)20-7-8-21-22(14-20)25-17-29(24(21)31)19-4-2-3-5-19/h7-8,14,17-19H,2-6,9-13,15-16H2,1H3.
What are the key properties of 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 423.56 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).