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

C19H22N4O2 — CID 110217869

IUPAC4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=C(Cc1ccccn1)N1CCCC(c2cc(=O)nc3n2CCC3)C1
InChIInChI=1S/C19H22N4O2/c24-18-12-16(23-10-4-7-17(23)21-18)14-5-3-9-22(13-14)19(25)11-15-6-1-2-8-20-15/h1-2,6,8,12,14H,3-5,7,9-11,13H2
InChIKeyPSSPUQRSVQQHPI-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.53
Rot. Bonds3

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

4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 110217869) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID110217869
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=C(Cc1ccccn1)N1CCCC(c2cc(=O)nc3n2CCC3)C1
InChIInChI=1S/C19H22N4O2/c24-18-12-16(23-10-4-7-17(23)21-18)14-5-3-9-22(13-14)19(25)11-15-6-1-2-8-20-15/h1-2,6,8,12,14H,3-5,7,9-11,13H2
InChIKeyPSSPUQRSVQQHPI-UHFFFAOYSA-N
XLogP1.53
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one with MolForge

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Related Compounds

3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217928
4-[1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217907
4-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92578288
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
4-[(3S)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92566228
4-[(3R)-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92563708
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
4-[(3S)-1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567131
4-[(3S)-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92607741
4-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92607738
4-[(3R)-1-[(3S)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567657
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 110217869) is 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is O=C(Cc1ccccn1)N1CCCC(c2cc(=O)nc3n2CCC3)C1.
What is the InChIKey of 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is PSSPUQRSVQQHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-12-16(23-10-4-7-17(23)21-18)14-5-3-9-22(13-14)19(25)11-15-6-1-2-8-20-15/h1-2,6,8,12,14H,3-5,7,9-11,13H2.
What are the key properties of 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 110217869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).