N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide

C22H34N4O2 — CID 162358264

IUPACN-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide
SMILES[H]/N=C/CCCC(=O)NCC1CCC(CN2CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C22H34N4O2/c23-11-5-4-8-22(27)24-16-20-9-10-21(28-20)18-26-14-12-25(13-15-26)17-19-6-2-1-3-7-19/h1-3,6-7,11,20-21,23H,4-5,8-10,12-18H2,(H,24,27)/b23-11+
InChIKeyACKYWSXYEWEISD-FOKLQQMPSA-N
MW386.54 g/mol
LogP2.29
Rot. Bonds10

About N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide

N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide (PubChem CID 162358264) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide.

Molecular Properties

Compound NameN-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide
PubChem CID162358264
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide
SMILES[H]/N=C/CCCC(=O)NCC1CCC(CN2CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C22H34N4O2/c23-11-5-4-8-22(27)24-16-20-9-10-21(28-20)18-26-14-12-25(13-15-26)17-19-6-2-1-3-7-19/h1-3,6-7,11,20-21,23H,4-5,8-10,12-18H2,(H,24,27)/b23-11+
InChIKeyACKYWSXYEWEISD-FOKLQQMPSA-N
XLogP2.29
TPSA68.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide?
The IUPAC name of N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide (CID 162358264) is N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide.
What is the SMILES notation for N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide?
The canonical SMILES for N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide is [H]/N=C/CCCC(=O)NCC1CCC(CN2CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide?
The InChIKey is ACKYWSXYEWEISD-FOKLQQMPSA-N. The full InChI is InChI=1S/C22H34N4O2/c23-11-5-4-8-22(27)24-16-20-9-10-21(28-20)18-26-14-12-25(13-15-26)17-19-6-2-1-3-7-19/h1-3,6-7,11,20-21,23H,4-5,8-10,12-18H2,(H,24,27)/b23-11+.
What are the key properties of N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide?
N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide has a molecular weight of 386.54 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]-5-iminopentanamide is sourced from PubChem (CID 162358264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).