2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide

C17H25BrN2O2 — CID 17250210

IUPAC2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)C(C)Oc2ccccc2Br)CC1
InChIInChI=1S/C17H25BrN2O2/c1-3-10-20-11-8-14(9-12-20)19-17(21)13(2)22-16-7-5-4-6-15(16)18/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,21)
InChIKeyHJSMIGCUPHHKMH-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.21
Rot. Bonds6

About 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide

2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 17250210) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID17250210
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)C(C)Oc2ccccc2Br)CC1
InChIInChI=1S/C17H25BrN2O2/c1-3-10-20-11-8-14(9-12-20)19-17(21)13(2)22-16-7-5-4-6-15(16)18/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,21)
InChIKeyHJSMIGCUPHHKMH-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236767
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 111118280
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27212161
2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250206
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide
CID 95156509
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 108560850
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide (CID 17250210) is 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(NC(=O)C(C)Oc2ccccc2Br)CC1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is HJSMIGCUPHHKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-3-10-20-11-8-14(9-12-20)19-17(21)13(2)22-16-7-5-4-6-15(16)18/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 369.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 17250210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).