3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide

C18H29N3O2 — CID 86182371

IUPAC3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
SMILESNCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C18H29N3O2/c19-9-8-18(22)20-10-5-13-23-17-7-4-6-16(14-17)15-21-11-2-1-3-12-21/h4,6-7,14H,1-3,5,8-13,15,19H2,(H,20,22)
InChIKeyXLCSSWRMCNFKCQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.91
Rot. Bonds9

About 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide

3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide (PubChem CID 86182371) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
PubChem CID86182371
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
SMILESNCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C18H29N3O2/c19-9-8-18(22)20-10-5-13-23-17-7-4-6-16(14-17)15-21-11-2-1-3-12-21/h4,6-7,14H,1-3,5,8-13,15,19H2,(H,20,22)
InChIKeyXLCSSWRMCNFKCQ-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 20567188
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide
CID 15029681
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 58756726
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The IUPAC name of 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide (CID 86182371) is 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide is NCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
The InChIKey is XLCSSWRMCNFKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c19-9-8-18(22)20-10-5-13-23-17-7-4-6-16(14-17)15-21-11-2-1-3-12-21/h4,6-7,14H,1-3,5,8-13,15,19H2,(H,20,22).
What are the key properties of 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide?
3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide is sourced from PubChem (CID 86182371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).