(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone

C22H30N4O — CID 109159553

IUPAC(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
SMILESCC(C)CCNc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H30N4O/c1-18(2)10-11-23-21-9-8-20(16-24-21)22(27)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H,23,24)
InChIKeyBIAANOWWTGGUMC-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.50
Rot. Bonds7

About (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone

(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone (PubChem CID 109159553) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
PubChem CID109159553
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
SMILESCC(C)CCNc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H30N4O/c1-18(2)10-11-23-21-9-8-20(16-24-21)22(27)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H,23,24)
InChIKeyBIAANOWWTGGUMC-UHFFFAOYSA-N
XLogP3.50
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[6-(pentylamino)-3-pyridinyl]methanone
CID 109159554
(4-benzylpiperazin-1-yl)-[5-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109237466
(4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109309440
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
[6-(2-methylpropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109151821
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(2-methylpropylamino)-3-pyridinyl]methanone
CID 109151822
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109043879
(4-benzylpiperazin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 30773012
ethyl 4-[6-(3-phenylpropylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160302
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone (CID 109159553) is (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone is CC(C)CCNc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone?
The InChIKey is BIAANOWWTGGUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18(2)10-11-23-21-9-8-20(16-24-21)22(27)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H,23,24).
What are the key properties of (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109159553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).