4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C17H23N3O2 — CID 66510180

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c(C2CCCN(C(=O)C3CC3)C2)n2c(nc1=O)CCC2
InChIInChI=1S/C17H23N3O2/c1-11-15(20-9-3-5-14(20)18-16(11)21)13-4-2-8-19(10-13)17(22)12-6-7-12/h12-13H,2-10H2,1H3
InChIKeyAGEUCUAGQVUHKT-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.61
Rot. Bonds2

About 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 66510180) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID66510180
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c(C2CCCN(C(=O)C3CC3)C2)n2c(nc1=O)CCC2
InChIInChI=1S/C17H23N3O2/c1-11-15(20-9-3-5-14(20)18-16(11)21)13-4-2-8-19(10-13)17(22)12-6-7-12/h12-13H,2-10H2,1H3
InChIKeyAGEUCUAGQVUHKT-UHFFFAOYSA-N
XLogP1.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 66510180) is 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is Cc1c(C2CCCN(C(=O)C3CC3)C2)n2c(nc1=O)CCC2.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is AGEUCUAGQVUHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-15(20-9-3-5-14(20)18-16(11)21)13-4-2-8-19(10-13)17(22)12-6-7-12/h12-13H,2-10H2,1H3.
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 66510180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).