3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C17H22N4O2 — CID 119592865

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCCC(C(C)N)C3)c(=O)n2c1
InChIInChI=1S/C17H22N4O2/c1-11-5-6-15-19-8-14(17(23)21(15)9-11)16(22)20-7-3-4-13(10-20)12(2)18/h5-6,8-9,12-13H,3-4,7,10,18H2,1-2H3
InChIKeyFAVLOHGVACLUPK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.20
Rot. Bonds2

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 119592865) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID119592865
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCCC(C(C)N)C3)c(=O)n2c1
InChIInChI=1S/C17H22N4O2/c1-11-5-6-15-19-8-14(17(23)21(15)9-11)16(22)20-7-3-4-13(10-20)12(2)18/h5-6,8-9,12-13H,3-4,7,10,18H2,1-2H3
InChIKeyFAVLOHGVACLUPK-UHFFFAOYSA-N
XLogP1.20
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119377302
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119631055
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119631054
[3-(1-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112375
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 134021810
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120749650
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
CID 124691975
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
CID 124688867
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 124591955
[3-(1-aminoethyl)piperidin-1-yl]-[2-fluoro-4-(4-methylphenyl)phenyl]methanone;hydrochloride
CID 119593064
2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione
CID 119594509

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 119592865) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCCC(C(C)N)C3)c(=O)n2c1.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FAVLOHGVACLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-5-6-15-19-8-14(17(23)21(15)9-11)16(22)20-7-3-4-13(10-20)12(2)18/h5-6,8-9,12-13H,3-4,7,10,18H2,1-2H3.
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 119592865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).