4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide

C19H30N2O3 — CID 86907108

IUPAC4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
SMILESCCCN1CCC(NC(=O)CCCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H30N2O3/c1-3-12-21-13-10-16(11-14-21)20-19(22)5-4-15-24-18-8-6-17(23-2)7-9-18/h6-9,16H,3-5,10-15H2,1-2H3,(H,20,22)
InChIKeyJBOGLBDGZGBAFN-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.84
Rot. Bonds9

About 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide

4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide (PubChem CID 86907108) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
PubChem CID86907108
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
SMILESCCCN1CCC(NC(=O)CCCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H30N2O3/c1-3-12-21-13-10-16(11-14-21)20-19(22)5-4-15-24-18-8-6-17(23-2)7-9-18/h6-9,16H,3-5,10-15H2,1-2H3,(H,20,22)
InChIKeyJBOGLBDGZGBAFN-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
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-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901
[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147385
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide (CID 86907108) is 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide is CCCN1CCC(NC(=O)CCCOc2ccc(OC)cc2)CC1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide?
The InChIKey is JBOGLBDGZGBAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-12-21-13-10-16(11-14-21)20-19(22)5-4-15-24-18-8-6-17(23-2)7-9-18/h6-9,16H,3-5,10-15H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide?
4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide has a molecular weight of 334.46 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide is sourced from PubChem (CID 86907108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).