2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide

C23H29N3O3 — CID 20567167

IUPAC2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1C(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C23H29N3O3/c24-22(27)20-10-2-3-11-21(20)23(28)25-12-7-15-29-19-9-6-8-18(16-19)17-26-13-4-1-5-14-26/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H2,24,27)(H,25,28)
InChIKeyLVXYGIHOCPQABY-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.97
Rot. Bonds9

About 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide

2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide (PubChem CID 20567167) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
PubChem CID20567167
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1C(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C23H29N3O3/c24-22(27)20-10-2-3-11-21(20)23(28)25-12-7-15-29-19-9-6-8-18(16-19)17-26-13-4-1-5-14-26/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H2,24,27)(H,25,28)
InChIKeyLVXYGIHOCPQABY-UHFFFAOYSA-N
XLogP2.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.97
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-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
[methyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylcarbamothioyl]amino]urea
CID 57040317
[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
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
1-oxido-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pyridin-1-ium-3-carboxamide
CID 13277578
4-nitro-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide
CID 12952085
3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 20567188
3-(benzenesulfonamido)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide
CID 70512568

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide?
The IUPAC name of 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide (CID 20567167) is 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide is NC(=O)c1ccccc1C(=O)NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide?
The InChIKey is LVXYGIHOCPQABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c24-22(27)20-10-2-3-11-21(20)23(28)25-12-7-15-29-19-9-6-8-18(16-19)17-26-13-4-1-5-14-26/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H2,24,27)(H,25,28).
What are the key properties of 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide?
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 20567167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).