6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one

C24H27N3O4 — CID 55723104

IUPAC6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C24H27N3O4/c1-14(2)12-16-4-6-17(7-5-16)21(28)18-8-10-27(11-9-18)24(30)19-15(3)31-23-20(19)22(29)25-13-26-23/h4-7,13-14,18H,8-12H2,1-3H3,(H,25,26,29)
InChIKeyCWJCTSXWLXSTPQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.76
Rot. Bonds5

About 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one

6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 55723104) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID55723104
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C24H27N3O4/c1-14(2)12-16-4-6-17(7-5-16)21(28)18-8-10-27(11-9-18)24(30)19-15(3)31-23-20(19)22(29)25-13-26-23/h4-7,13-14,18H,8-12H2,1-3H3,(H,25,26,29)
InChIKeyCWJCTSXWLXSTPQ-UHFFFAOYSA-N
XLogP3.76
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one (CID 55723104) is 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one is Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is CWJCTSXWLXSTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-14(2)12-16-4-6-17(7-5-16)21(28)18-8-10-27(11-9-18)24(30)19-15(3)31-23-20(19)22(29)25-13-26-23/h4-7,13-14,18H,8-12H2,1-3H3,(H,25,26,29).
What are the key properties of 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one?
6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 421.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 55723104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).