3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide

C18H27BrN2O2 — CID 55570273

IUPAC3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)CCc2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C18H27BrN2O2/c1-3-10-21-11-8-15(9-12-21)20-18(22)7-5-14-4-6-17(23-2)16(19)13-14/h4,6,13,15H,3,5,7-12H2,1-2H3,(H,20,22)
InChIKeyYLBFADUVVYZVEN-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.38
Rot. Bonds7

About 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide

3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 55570273) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID55570273
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)CCc2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C18H27BrN2O2/c1-3-10-21-11-8-15(9-12-21)20-18(22)7-5-14-4-6-17(23-2)16(19)13-14/h4,6,13,15H,3,5,7-12H2,1-2H3,(H,20,22)
InChIKeyYLBFADUVVYZVEN-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 99972464
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809941
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
3-(2-ethoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 78809618
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide (CID 55570273) is 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(NC(=O)CCc2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is YLBFADUVVYZVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-3-10-21-11-8-15(9-12-21)20-18(22)7-5-14-4-6-17(23-2)16(19)13-14/h4,6,13,15H,3,5,7-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide?
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 383.33 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 55570273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).