N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide

C19H30N2O3 — CID 20567118

IUPACN-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide
SMILESCC(=O)NOC(C)CCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H30N2O3/c1-16(24-20-17(2)22)8-7-13-23-19-10-6-9-18(14-19)15-21-11-4-3-5-12-21/h6,9-10,14,16H,3-5,7-8,11-13,15H2,1-2H3,(H,20,22)
InChIKeyBIAQAUAIMJCLNN-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.29
Rot. Bonds9

About N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide

N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide (PubChem CID 20567118) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide.

Molecular Properties

Compound NameN-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide
PubChem CID20567118
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide
SMILESCC(=O)NOC(C)CCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H30N2O3/c1-16(24-20-17(2)22)8-7-13-23-19-10-6-9-18(14-19)15-21-11-4-3-5-12-21/h6,9-10,14,16H,3-5,7-8,11-13,15H2,1-2H3,(H,20,22)
InChIKeyBIAQAUAIMJCLNN-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
N-[[1-amino-5-[3-(piperidin-1-ylmethyl)phenoxy]pentylidene]amino]acetamide;benzene
CID 70549733
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
1-amino-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]guanidine
CID 12774390
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide?
The IUPAC name of N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide (CID 20567118) is N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide.
What is the SMILES notation for N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide?
The canonical SMILES for N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide is CC(=O)NOC(C)CCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide?
The InChIKey is BIAQAUAIMJCLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-16(24-20-17(2)22)8-7-13-23-19-10-6-9-18(14-19)15-21-11-4-3-5-12-21/h6,9-10,14,16H,3-5,7-8,11-13,15H2,1-2H3,(H,20,22).
What are the key properties of N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide?
N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide has a molecular weight of 334.46 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide is sourced from PubChem (CID 20567118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).