7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C14H16FN3O — CID 115054690

IUPAC7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCCNC2)nc2ccc(F)cn12
InChIInChI=1S/C14H16FN3O/c15-11-3-4-13-17-12(7-14(19)18(13)9-11)6-10-2-1-5-16-8-10/h3-4,7,9-10,16H,1-2,5-6,8H2
InChIKeyHQEFONBBIDJIGF-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.38
Rot. Bonds2

About 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054690) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054690
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCCNC2)nc2ccc(F)cn12
InChIInChI=1S/C14H16FN3O/c15-11-3-4-13-17-12(7-14(19)18(13)9-11)6-10-2-1-5-16-8-10/h3-4,7,9-10,16H,1-2,5-6,8H2
InChIKeyHQEFONBBIDJIGF-UHFFFAOYSA-N
XLogP1.38
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 130209616
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
6-methoxy-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117130028
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664
6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 55232173
8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054699
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 176570011
2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110270443
7-piperazin-1-yl-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117236368

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054690) is 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CC2CCCNC2)nc2ccc(F)cn12.
What is the InChIKey of 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HQEFONBBIDJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-3-4-13-17-12(7-14(19)18(13)9-11)6-10-2-1-5-16-8-10/h3-4,7,9-10,16H,1-2,5-6,8H2.
What are the key properties of 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).