9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H26N4O — CID 119933028

IUPAC9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN(Cc1cc(=O)n2cccc(C)c2n1)C1CCNCC1
InChIInChI=1S/C18H26N4O/c1-3-10-21(16-6-8-19-9-7-16)13-15-12-17(23)22-11-4-5-14(2)18(22)20-15/h4-5,11-12,16,19H,3,6-10,13H2,1-2H3
InChIKeyVLEBMGHVTCYWKB-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.97
Rot. Bonds5

About 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 119933028) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID119933028
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN(Cc1cc(=O)n2cccc(C)c2n1)C1CCNCC1
InChIInChI=1S/C18H26N4O/c1-3-10-21(16-6-8-19-9-7-16)13-15-12-17(23)22-11-4-5-14(2)18(22)20-15/h4-5,11-12,16,19H,3,6-10,13H2,1-2H3
InChIKeyVLEBMGHVTCYWKB-UHFFFAOYSA-N
XLogP1.97
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60510332
2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 47056018
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60524914
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56818277
N-[(3-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 112650950
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119916529
3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742151
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787833

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 119933028) is 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCCN(Cc1cc(=O)n2cccc(C)c2n1)C1CCNCC1.
What is the InChIKey of 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VLEBMGHVTCYWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-10-21(16-6-8-19-9-7-16)13-15-12-17(23)22-11-4-5-14(2)18(22)20-15/h4-5,11-12,16,19H,3,6-10,13H2,1-2H3.
What are the key properties of 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 119933028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).