[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

C22H29N3O2 — CID 99932008

IUPAC[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESCN(CCO)c1ccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)cc1
InChIInChI=1S/C22H29N3O2/c1-24(16-17-26)20-11-8-18(9-12-20)22(27)25-15-5-3-7-21(25)13-10-19-6-2-4-14-23-19/h2,4,6,8-9,11-12,14,21,26H,3,5,7,10,13,15-17H2,1H3/t21-/m0/s1
InChIKeySKQYQGJKBXZQTQ-NRFANRHFSA-N
MW367.49 g/mol
LogP3.14
Rot. Bonds7

About [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 99932008) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
PubChem CID99932008
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESCN(CCO)c1ccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)cc1
InChIInChI=1S/C22H29N3O2/c1-24(16-17-26)20-11-8-18(9-12-20)22(27)25-15-5-3-7-21(25)13-10-19-6-2-4-14-23-19/h2,4,6,8-9,11-12,14,21,26H,3,5,7,10,13,15-17H2,1H3/t21-/m0/s1
InChIKeySKQYQGJKBXZQTQ-NRFANRHFSA-N
XLogP3.14
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-fluoro-3-hydroxyphenyl)-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932075
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704
(4-tert-butylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121450378
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97148857
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 70762389
(5-propyl-1H-pyrazol-3-yl)-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97141726
1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 87010519
4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109047547
1-benzoyl-N-(2-hydroxyethyl)-N-methylpiperidine-2-carboxamide
CID 110887525
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
2-(2-phenylimidazol-1-yl)-1-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 97121325

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (CID 99932008) is [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is CN(CCO)c1ccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)cc1.
What is the InChIKey of [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is SKQYQGJKBXZQTQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(16-17-26)20-11-8-18(9-12-20)22(27)25-15-5-3-7-21(25)13-10-19-6-2-4-14-23-19/h2,4,6,8-9,11-12,14,21,26H,3,5,7,10,13,15-17H2,1H3/t21-/m0/s1.
What are the key properties of [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 99932008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).