[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C20H26N4O — CID 109237509

IUPAC[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCN(CC)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-3-22(4-2)19-14-17(15-21-16-19)20(25)24-12-10-23(11-13-24)18-8-6-5-7-9-18/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyBHOGQKCFYYQBQI-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.89
Rot. Bonds5

About [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109237509) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109237509
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCN(CC)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-3-22(4-2)19-14-17(15-21-16-19)20(25)24-12-10-23(11-13-24)18-8-6-5-7-9-18/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyBHOGQKCFYYQBQI-UHFFFAOYSA-N
XLogP2.89
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
CID 109238896
N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 50795474
[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238550
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237515
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113078827
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413

Frequently Asked Questions

What is the IUPAC name of [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109237509) is [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is CCN(CC)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BHOGQKCFYYQBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-22(4-2)19-14-17(15-21-16-19)20(25)24-12-10-23(11-13-24)18-8-6-5-7-9-18/h5-9,14-16H,3-4,10-13H2,1-2H3.
What are the key properties of [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109237509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).