(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C19H23N3O — CID 136519004

IUPAC(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCCc1cccnc1C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C19H23N3O/c1-3-16-7-5-9-20-18(16)19(23)22-12-10-21(11-13-22)17-8-4-6-15(2)14-17/h4-9,14H,3,10-13H2,1-2H3
InChIKeyKZOPTDCMIVTZEY-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.91
Rot. Bonds3

About (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 136519004) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID136519004
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCCc1cccnc1C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C19H23N3O/c1-3-16-7-5-9-20-18(16)19(23)22-12-10-21(11-13-22)17-8-4-6-15(2)14-17/h4-9,14H,3,10-13H2,1-2H3
InChIKeyKZOPTDCMIVTZEY-UHFFFAOYSA-N
XLogP2.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 30543853
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113201855
[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149035
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166
2-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]acetonitrile
CID 94805588

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 136519004) is (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is CCc1cccnc1C(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is KZOPTDCMIVTZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-16-7-5-9-20-18(16)19(23)22-12-10-21(11-13-22)17-8-4-6-15(2)14-17/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136519004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).