4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide

C27H37N3O3 — CID 118462134

IUPAC4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
SMILESCOc1cccc(Oc2ccc(C(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)c1
InChIInChI=1S/C27H37N3O3/c1-32-25-7-5-8-26(21-25)33-24-11-9-22(10-12-24)27(31)28-15-6-16-29-19-13-23(14-20-29)30-17-3-2-4-18-30/h5,7-12,21,23H,2-4,6,13-20H2,1H3,(H,28,31)
InChIKeyMZXUWIMCRNDWCW-UHFFFAOYSA-N
MW451.61 g/mol
LogP4.56
Rot. Bonds9

About 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide

4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide (PubChem CID 118462134) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
PubChem CID118462134
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Name4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
SMILESCOc1cccc(Oc2ccc(C(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)c1
InChIInChI=1S/C27H37N3O3/c1-32-25-7-5-8-26(21-25)33-24-11-9-22(10-12-24)27(31)28-15-6-16-29-19-13-23(14-20-29)30-17-3-2-4-18-30/h5,7-12,21,23H,2-4,6,13-20H2,1H3,(H,28,31)
InChIKeyMZXUWIMCRNDWCW-UHFFFAOYSA-N
XLogP4.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462328
4-morpholin-4-yl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577349
N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide
CID 126577362
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 154775568
4-(4-nitrophenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577390
3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945403
N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900839
N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
CID 110444718
4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577401
N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
CID 175293067
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide (CID 118462134) is 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide is COc1cccc(Oc2ccc(C(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
The InChIKey is MZXUWIMCRNDWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-32-25-7-5-8-26(21-25)33-24-11-9-22(10-12-24)27(31)28-15-6-16-29-19-13-23(14-20-29)30-17-3-2-4-18-30/h5,7-12,21,23H,2-4,6,13-20H2,1H3,(H,28,31).
What are the key properties of 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide?
4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide has a molecular weight of 451.61 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 118462134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).