2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione

C14H17N3O2 — CID 115054704

IUPAC2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione
SMILESO=c1ccn2c(=O)cc(CC3CCNCC3)[nH]c2c1
InChIInChI=1S/C14H17N3O2/c18-12-3-6-17-13(9-12)16-11(8-14(17)19)7-10-1-4-15-5-2-10/h3,6,8-10,15-16H,1-2,4-5,7H2
InChIKeySIWLDVRCBLJAJO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.53
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione

2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione (PubChem CID 115054704) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione
PubChem CID115054704
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione
SMILESO=c1ccn2c(=O)cc(CC3CCNCC3)[nH]c2c1
InChIInChI=1S/C14H17N3O2/c18-12-3-6-17-13(9-12)16-11(8-14(17)19)7-10-1-4-15-5-2-10/h3,6,8-10,15-16H,1-2,4-5,7H2
InChIKeySIWLDVRCBLJAJO-UHFFFAOYSA-N
XLogP0.53
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-4-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one
CID 105489719
2-(thian-4-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one
CID 117133909
2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one
CID 105489718
2-[(1,1-dioxothian-4-yl)methyl]-1H-imidazo[1,2-a]pyridin-7-one
CID 117133901
2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione
CID 115014799
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
2-(piperidin-4-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054700
9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054752
3-methyl-2-piperidin-3-yl-1H-imidazo[1,2-a]pyridin-7-one
CID 115038375
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
2-(thian-4-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117131527
2-piperidin-4-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
CID 117133668

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione?
The IUPAC name of 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione (CID 115054704) is 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione is O=c1ccn2c(=O)cc(CC3CCNCC3)[nH]c2c1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione?
The InChIKey is SIWLDVRCBLJAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-12-3-6-17-13(9-12)16-11(8-14(17)19)7-10-1-4-15-5-2-10/h3,6,8-10,15-16H,1-2,4-5,7H2.
What are the key properties of 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione?
2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione has a molecular weight of 259.31 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione is sourced from PubChem (CID 115054704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).