[4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone

C21H27N3O2 — CID 77089806

IUPAC[4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
SMILESCCOCCN1CCN(C(=O)c2c(-c3ccccc3)ccnc2C)CC1
InChIInChI=1S/C21H27N3O2/c1-3-26-16-15-23-11-13-24(14-12-23)21(25)20-17(2)22-10-9-19(20)18-7-5-4-6-8-18/h4-10H,3,11-16H2,1-2H3
InChIKeyOAOWNJGOFORDHH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.85
Rot. Bonds6

About [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone

[4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone (PubChem CID 77089806) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
PubChem CID77089806
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
SMILESCCOCCN1CCN(C(=O)c2c(-c3ccccc3)ccnc2C)CC1
InChIInChI=1S/C21H27N3O2/c1-3-26-16-15-23-11-13-24(14-12-23)21(25)20-17(2)22-10-9-19(20)18-7-5-4-6-8-18/h4-10H,3,11-16H2,1-2H3
InChIKeyOAOWNJGOFORDHH-UHFFFAOYSA-N
XLogP2.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid
CID 95216578
[(3aS,5S,6R,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 56918819
ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 77086895
[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone
CID 118791120
2-[3-[4-(2-ethoxyethyl)piperazine-1-carbonyl]phenyl]pyridine-3-carbonitrile
CID 119062818
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 24610345
[(3aR,7S,7aS)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 162632603
(2-methyl-4-phenyl-3-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169419354
2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119843308
[4-(2-methoxyethyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 16674237
(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
CID 111439654

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The IUPAC name of [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone (CID 77089806) is [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone is CCOCCN1CCN(C(=O)c2c(-c3ccccc3)ccnc2C)CC1.
What is the InChIKey of [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The InChIKey is OAOWNJGOFORDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-26-16-15-23-11-13-24(14-12-23)21(25)20-17(2)22-10-9-19(20)18-7-5-4-6-8-18/h4-10H,3,11-16H2,1-2H3.
What are the key properties of [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
[4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone has a molecular weight of 353.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethyl)piperazin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 77089806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).