(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone

C21H28N4O — CID 109203469

IUPAC(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
SMILESCCC(C)Nc1ccnc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N4O/c1-3-17(2)23-19-9-10-22-20(15-19)21(26)25-13-11-24(12-14-25)16-18-7-5-4-6-8-18/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,22,23)
InChIKeyRAOHIPFEPNOPEH-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.25
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone

(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 109203469) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
PubChem CID109203469
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
SMILESCCC(C)Nc1ccnc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N4O/c1-3-17(2)23-19-9-10-22-20(15-19)21(26)25-13-11-24(12-14-25)16-18-7-5-4-6-8-18/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,22,23)
InChIKeyRAOHIPFEPNOPEH-UHFFFAOYSA-N
XLogP3.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109203480
(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109213109
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078255
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201545
(4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109309440
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210790
(4-benzylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
CID 121167503
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone (CID 109203469) is (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone is CCC(C)Nc1ccnc(C(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is RAOHIPFEPNOPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-17(2)23-19-9-10-22-20(15-19)21(26)25-13-11-24(12-14-25)16-18-7-5-4-6-8-18/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,22,23).
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 352.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109203469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).