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

C22H30N4O — CID 109216019

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
SMILESCCCCCNc1ccnc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C22H30N4O/c1-3-4-5-10-23-19-9-11-24-21(17-19)22(27)26-14-12-25(13-15-26)20-8-6-7-18(2)16-20/h6-9,11,16-17H,3-5,10,12-15H2,1-2H3,(H,23,24)
InChIKeyWCCAWQSLLHEQKB-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.95
Rot. Bonds7

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

[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone (PubChem CID 109216019) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
PubChem CID109216019
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
SMILESCCCCCNc1ccnc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C22H30N4O/c1-3-4-5-10-23-19-9-11-24-21(17-19)22(27)26-14-12-25(13-15-26)20-8-6-7-18(2)16-20/h6-9,11,16-17H,3-5,10,12-15H2,1-2H3,(H,23,24)
InChIKeyWCCAWQSLLHEQKB-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100
[4-(3-methylphenyl)piperazin-1-yl]-[2-(pentylamino)-4-pyridinyl]methanone
CID 109174364
[4-(3-methylphenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202330
[4-(furan-2-ylmethylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109209484
[4-(3-methylphenyl)piperazin-1-yl]-[5-(pentylamino)-3-pyridinyl]methanone
CID 109238400
[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109202741
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 109201209
4-[[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-pyridinyl]amino]benzonitrile
CID 109216036
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone (CID 109216019) is [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone is CCCCCNc1ccnc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone?
The InChIKey is WCCAWQSLLHEQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-4-5-10-23-19-9-11-24-21(17-19)22(27)26-14-12-25(13-15-26)20-8-6-7-18(2)16-20/h6-9,11,16-17H,3-5,10,12-15H2,1-2H3,(H,23,24).
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109216019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).