(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone

C20H26N4O2 — CID 109227858

IUPAC(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1cncc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-26-12-7-22-19-13-18(14-21-15-19)20(25)24-10-8-23(9-11-24)16-17-5-3-2-4-6-17/h2-6,13-15,22H,7-12,16H2,1H3
InChIKeyQKMVAQQSVDTCMT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.10
Rot. Bonds7

About (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone

(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone (PubChem CID 109227858) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
PubChem CID109227858
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1cncc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-26-12-7-22-19-13-18(14-21-15-19)20(25)24-10-8-23(9-11-24)16-17-5-3-2-4-6-17/h2-6,13-15,22H,7-12,16H2,1H3
InChIKeyQKMVAQQSVDTCMT-UHFFFAOYSA-N
XLogP2.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylpiperazin-1-yl)-[5-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109237466
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227890
(4-benzylpiperazin-1-yl)-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229924
(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
CID 109223799
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227873
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone (CID 109227858) is (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone is COCCNc1cncc(C(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The InChIKey is QKMVAQQSVDTCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-12-7-22-19-13-18(14-21-15-19)20(25)24-10-8-23(9-11-24)16-17-5-3-2-4-6-17/h2-6,13-15,22H,7-12,16H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109227858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).