2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one

C13H17N3O — CID 105489718

IUPAC2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one
SMILESO=c1ccn2cc(CC3CCCNC3)[nH]c2c1
InChIInChI=1S/C13H17N3O/c17-12-3-5-16-9-11(15-13(16)7-12)6-10-2-1-4-14-8-10/h3,5,7,9-10,14-15H,1-2,4,6,8H2
InChIKeyLKDSKMHLLIXFFV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.17
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one

2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one (PubChem CID 105489718) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one
PubChem CID105489718
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one
SMILESO=c1ccn2cc(CC3CCCNC3)[nH]c2c1
InChIInChI=1S/C13H17N3O/c17-12-3-5-16-9-11(15-13(16)7-12)6-10-2-1-4-14-8-10/h3,5,7,9-10,14-15H,1-2,4,6,8H2
InChIKeyLKDSKMHLLIXFFV-UHFFFAOYSA-N
XLogP1.17
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-[(1,1-dioxothian-4-yl)methyl]-1H-imidazo[1,2-a]pyridin-7-one
CID 117133901
2-(chloromethyl)-1H-imidazo[1,2-a]pyridin-7-one
CID 135394128
2-(piperidin-4-ylmethyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione
CID 115054704
3-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 82280682
7-piperazin-1-yl-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117236368
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one
CID 117134296
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
2-(azetidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 105455271
5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092869

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one?
The IUPAC name of 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one (CID 105489718) is 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one is O=c1ccn2cc(CC3CCCNC3)[nH]c2c1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one?
The InChIKey is LKDSKMHLLIXFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-12-3-5-16-9-11(15-13(16)7-12)6-10-2-1-4-14-8-10/h3,5,7,9-10,14-15H,1-2,4,6,8H2.
What are the key properties of 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one?
2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one has a molecular weight of 231.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-7-one is sourced from PubChem (CID 105489718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).