[4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone

C16H26N4O2 — CID 164633582

IUPAC[4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone
SMILESCC1(C)CN(C(=O)[C@@H]2CCCc3nccn32)CCN1CCO
InChIInChI=1S/C16H26N4O2/c1-16(2)12-18(8-9-19(16)10-11-21)15(22)13-4-3-5-14-17-6-7-20(13)14/h6-7,13,21H,3-5,8-12H2,1-2H3/t13-/m0/s1
InChIKeyUAVKGZBQEBUFDG-ZDUSSCGKSA-N
MW306.41 g/mol
LogP0.68
Rot. Bonds3

About [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone

[4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone (PubChem CID 164633582) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone
PubChem CID164633582
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone
SMILESCC1(C)CN(C(=O)[C@@H]2CCCc3nccn32)CCN1CCO
InChIInChI=1S/C16H26N4O2/c1-16(2)12-18(8-9-19(16)10-11-21)15(22)13-4-3-5-14-17-6-7-20(13)14/h6-7,13,21H,3-5,8-12H2,1-2H3/t13-/m0/s1
InChIKeyUAVKGZBQEBUFDG-ZDUSSCGKSA-N
XLogP0.68
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{1-[(1-isopropyl-4-piperidinyl)acetyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72890404
1-propyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)piperidine-2-carboxamide
CID 72150020
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-morpholin-4-ylpropan-1-one
CID 86774762
(3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 164638028
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-5-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 137982511
9-[2-(1H-imidazol-1-yl)propanoyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847147
2-(2-{1-[2-(4-morpholinyl)butanoyl]-4-piperidinyl}-1H-imidazol-1-yl)acetamide
CID 72917985
4-(2-Methoxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97412721
4-(2-Hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495743
3-hydroxy-N-{1-[(1-methyl-1H-imidazol-2-yl)methyl]-2-oxopiperidin-3-yl}piperidine-1-carboxamide
CID 132358589
3-(8-Oxo-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl)piperidine-1-carboxylic acid
CID 117773278
2-(2-(3-(4-(piperidin-1-yl)piperidin-1-yl)-3-oxopropyl)-1H-imidazol-1-yl)acetic acid
CID 117984704

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone?
The IUPAC name of [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone (CID 164633582) is [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone?
The canonical SMILES for [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone is CC1(C)CN(C(=O)[C@@H]2CCCc3nccn32)CCN1CCO.
What is the InChIKey of [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone?
The InChIKey is UAVKGZBQEBUFDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2)12-18(8-9-19(16)10-11-21)15(22)13-4-3-5-14-17-6-7-20(13)14/h6-7,13,21H,3-5,8-12H2,1-2H3/t13-/m0/s1.
What are the key properties of [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone?
[4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-3,3-dimethylpiperazin-1-yl]-[(5S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanone is sourced from PubChem (CID 164633582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).