[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

C22H29N3O2 — CID 56754313

IUPAC[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCN(CCO)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O2/c1-24(15-16-26)21-10-9-20(17-23-21)22(27)25-13-11-19(12-14-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,17,19,26H,7-8,11-16H2,1H3
InChIKeyWAWAEXOENDOWAI-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.00
Rot. Bonds7

About [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 56754313) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID56754313
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCN(CCO)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O2/c1-24(15-16-26)21-10-9-20(17-23-21)22(27)25-13-11-19(12-14-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,17,19,26H,7-8,11-16H2,1H3
InChIKeyWAWAEXOENDOWAI-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
N,N-dimethyl-2-[[5-[4-(2-phenylethyl)piperidine-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 56749811
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95227967
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 56917083
[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95207332
[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
CID 56917055
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008
[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503795
6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
CID 70610869
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759

Frequently Asked Questions

What is the IUPAC name of [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 56754313) is [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is CN(CCO)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1.
What is the InChIKey of [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is WAWAEXOENDOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(15-16-26)21-10-9-20(17-23-21)22(27)25-13-11-19(12-14-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,17,19,26H,7-8,11-16H2,1H3.
What are the key properties of [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56754313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).