5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide

C19H31N5O — CID 118988085

IUPAC5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide
SMILESCN1CCN(CCCCC(=O)NC2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C19H31N5O/c1-23-11-13-24(14-12-23)10-6-5-9-19(25)20-18-15-17(21-22-18)16-7-3-2-4-8-16/h2-4,7-8,17-18,21-22H,5-6,9-15H2,1H3,(H,20,25)
InChIKeyNLVXESHDFJNMPJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.09
Rot. Bonds7

About 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide

5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide (PubChem CID 118988085) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide
PubChem CID118988085
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide
SMILESCN1CCN(CCCCC(=O)NC2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C19H31N5O/c1-23-11-13-24(14-12-23)10-6-5-9-19(25)20-18-15-17(21-22-18)16-7-3-2-4-8-16/h2-4,7-8,17-18,21-22H,5-6,9-15H2,1H3,(H,20,25)
InChIKeyNLVXESHDFJNMPJ-UHFFFAOYSA-N
XLogP1.09
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide (CID 118988085) is 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide is CN1CCN(CCCCC(=O)NC2CC(c3ccccc3)NN2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide?
The InChIKey is NLVXESHDFJNMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-23-11-13-24(14-12-23)10-6-5-9-19(25)20-18-15-17(21-22-18)16-7-3-2-4-8-16/h2-4,7-8,17-18,21-22H,5-6,9-15H2,1H3,(H,20,25).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide?
5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide has a molecular weight of 345.49 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide is sourced from PubChem (CID 118988085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).