[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

C22H25N3O2 — CID 46990595

IUPAC[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccn2cc(C(=O)N3CCCCC3CCc3ccc(O)cc3)nc12
InChIInChI=1S/C22H25N3O2/c1-16-5-4-13-24-15-20(23-21(16)24)22(27)25-14-3-2-6-18(25)10-7-17-8-11-19(26)12-9-17/h4-5,8-9,11-13,15,18,26H,2-3,6-7,10,14H2,1H3
InChIKeyPVUQXIKTXAYSSL-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.98
Rot. Bonds4

About [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 46990595) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID46990595
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccn2cc(C(=O)N3CCCCC3CCc3ccc(O)cc3)nc12
InChIInChI=1S/C22H25N3O2/c1-16-5-4-13-24-15-20(23-21(16)24)22(27)25-14-3-2-6-18(25)10-7-17-8-11-19(26)12-9-17/h4-5,8-9,11-13,15,18,26H,2-3,6-7,10,14H2,1H3
InChIKeyPVUQXIKTXAYSSL-UHFFFAOYSA-N
XLogP3.98
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 42346388
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70757893
[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 96573273
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 72905265
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
(3R)-N-cyclopentyl-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92635367
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92617149

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 46990595) is [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccn2cc(C(=O)N3CCCCC3CCc3ccc(O)cc3)nc12.
What is the InChIKey of [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is PVUQXIKTXAYSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-5-4-13-24-15-20(23-21(16)24)22(27)25-14-3-2-6-18(25)10-7-17-8-11-19(26)12-9-17/h4-5,8-9,11-13,15,18,26H,2-3,6-7,10,14H2,1H3.
What are the key properties of [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 46990595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).