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

C16H21N3O2 — CID 110226318

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=C(C1CC1)N1CCCC(c2cc(=O)nc3n2CCC3)C1
InChIInChI=1S/C16H21N3O2/c20-15-9-13(19-8-2-4-14(19)17-15)12-3-1-7-18(10-12)16(21)11-5-6-11/h9,11-12H,1-8,10H2
InChIKeyIGMQFRDBRNJFBK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.31
Rot. Bonds2

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

4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 110226318) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID110226318
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=C(C1CC1)N1CCCC(c2cc(=O)nc3n2CCC3)C1
InChIInChI=1S/C16H21N3O2/c20-15-9-13(19-8-2-4-14(19)17-15)12-3-1-7-18(10-12)16(21)11-5-6-11/h9,11-12H,1-8,10H2
InChIKeyIGMQFRDBRNJFBK-UHFFFAOYSA-N
XLogP1.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.31
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]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 110226318) is 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is O=C(C1CC1)N1CCCC(c2cc(=O)nc3n2CCC3)C1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is IGMQFRDBRNJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-9-13(19-8-2-4-14(19)17-15)12-3-1-7-18(10-12)16(21)11-5-6-11/h9,11-12H,1-8,10H2.
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.31, 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]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 110226318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).