[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone

C16H22N4O3 — CID 166649767

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
SMILESO=C(C1CCc2nccn2C1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C16H22N4O3/c21-14(12-1-2-13-17-5-6-20(13)11-12)18-7-9-19(10-8-18)15(22)16(23)3-4-16/h5-6,12,23H,1-4,7-11H2
InChIKeyLVRGVJZNCQDHIA-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.36
Rot. Bonds2

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 166649767) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID166649767
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
SMILESO=C(C1CCc2nccn2C1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C16H22N4O3/c21-14(12-1-2-13-17-5-6-20(13)11-12)18-7-9-19(10-8-18)15(22)16(23)3-4-16/h5-6,12,23H,1-4,7-11H2
InChIKeyLVRGVJZNCQDHIA-UHFFFAOYSA-N
XLogP-0.36
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]ethyl]imidazolidin-2-one
CID 167853473
3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide
CID 155958351
3-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 154871579
(6R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
CID 96635834
1-hydroxy-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)cyclohexane-1-carboxamide
CID 129006672
2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 72927882
[4-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl)cyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420647
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
CID 84578569
(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 154820407
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 163305443
(2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95765536
6-pyrrolidin-1-yl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
CID 95771822

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone (CID 166649767) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone is O=C(C1CCc2nccn2C1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is LVRGVJZNCQDHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-14(12-1-2-13-17-5-6-20(13)11-12)18-7-9-19(10-8-18)15(22)16(23)3-4-16/h5-6,12,23H,1-4,7-11H2.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 166649767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).