5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide

C22H30N4O — CID 142233572

IUPAC5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide
SMILESNC(=O)CCCCN1CCN(Cc2cccnc2)CC1Cc1ccccc1
InChIInChI=1S/C22H30N4O/c23-22(27)10-4-5-12-26-14-13-25(17-20-9-6-11-24-16-20)18-21(26)15-19-7-2-1-3-8-19/h1-3,6-9,11,16,21H,4-5,10,12-15,17-18H2,(H2,23,27)
InChIKeyJSCAFFOEQRLDCT-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.47
Rot. Bonds9

About 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide

5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide (PubChem CID 142233572) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide.

Molecular Properties

Compound Name5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide
PubChem CID142233572
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide
SMILESNC(=O)CCCCN1CCN(Cc2cccnc2)CC1Cc1ccccc1
InChIInChI=1S/C22H30N4O/c23-22(27)10-4-5-12-26-14-13-25(17-20-9-6-11-24-16-20)18-21(26)15-19-7-2-1-3-8-19/h1-3,6-9,11,16,21H,4-5,10,12-15,17-18H2,(H2,23,27)
InChIKeyJSCAFFOEQRLDCT-UHFFFAOYSA-N
XLogP2.47
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.47
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

2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 84592394
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 71649668
(6R)-1-acetyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-6-carboxylic acid
CID 95804985
(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
CID 95336645
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885
4-benzyl-3-ethyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one
CID 56875104
2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 45241392

Frequently Asked Questions

What is the IUPAC name of 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide?
The IUPAC name of 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide (CID 142233572) is 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide.
What is the SMILES notation for 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide?
The canonical SMILES for 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide is NC(=O)CCCCN1CCN(Cc2cccnc2)CC1Cc1ccccc1.
What is the InChIKey of 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide?
The InChIKey is JSCAFFOEQRLDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c23-22(27)10-4-5-12-26-14-13-25(17-20-9-6-11-24-16-20)18-21(26)15-19-7-2-1-3-8-19/h1-3,6-9,11,16,21H,4-5,10,12-15,17-18H2,(H2,23,27).
What are the key properties of 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide?
5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide has a molecular weight of 366.51 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide is sourced from PubChem (CID 142233572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).