N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene

C25H36N4O2 — CID 70549733

IUPACN-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene
SMILESCC(=O)NN=C(N)CCCCOc1cccc(CN2CCCCC2)c1.c1ccccc1
InChIInChI=1S/C19H30N4O2.C6H6/c1-16(24)21-22-19(20)10-3-6-13-25-18-9-7-8-17(14-18)15-23-11-4-2-5-12-23;1-2-4-6-5-3-1/h7-9,14H,2-6,10-13,15H2,1H3,(H2,20,22)(H,21,24);1-6H
InChIKeyNXSDDJBHPFZXEH-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.32
Rot. Bonds9

About N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene

N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene (PubChem CID 70549733) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene.

Molecular Properties

Compound NameN-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene
PubChem CID70549733
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene
SMILESCC(=O)NN=C(N)CCCCOc1cccc(CN2CCCCC2)c1.c1ccccc1
InChIInChI=1S/C19H30N4O2.C6H6/c1-16(24)21-22-19(20)10-3-6-13-25-18-9-7-8-17(14-18)15-23-11-4-2-5-12-23;1-2-4-6-5-3-1/h7-9,14H,2-6,10-13,15H2,1H3,(H2,20,22)(H,21,24);1-6H
InChIKeyNXSDDJBHPFZXEH-UHFFFAOYSA-N
XLogP4.32
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide
CID 20567118
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
4-[3-(piperidin-1-ylmethyl)phenoxy]-N'-sulfamoylbutanimidamide
CID 70476420
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
1-amino-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]guanidine
CID 12774390
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167

Frequently Asked Questions

What is the IUPAC name of N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene?
The IUPAC name of N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene (CID 70549733) is N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene.
What is the SMILES notation for N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene?
The canonical SMILES for N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene is CC(=O)NN=C(N)CCCCOc1cccc(CN2CCCCC2)c1.c1ccccc1.
What is the InChIKey of N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene?
The InChIKey is NXSDDJBHPFZXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.C6H6/c1-16(24)21-22-19(20)10-3-6-13-25-18-9-7-8-17(14-18)15-23-11-4-2-5-12-23;1-2-4-6-5-3-1/h7-9,14H,2-6,10-13,15H2,1H3,(H2,20,22)(H,21,24);1-6H.
What are the key properties of N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene?
N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene has a molecular weight of 424.59 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene is sourced from PubChem (CID 70549733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).