4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide

C18H27BrN2O2 — CID 119824771

IUPAC4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
SMILESCCCN(C(=O)CCCOc1cccc(Br)c1)C1CCNCC1
InChIInChI=1S/C18H27BrN2O2/c1-2-12-21(16-8-10-20-11-9-16)18(22)7-4-13-23-17-6-3-5-15(19)14-17/h3,5-6,14,16,20H,2,4,7-13H2,1H3
InChIKeyRJTIAWVXLBXQOO-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.60
Rot. Bonds8

About 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide

4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide (PubChem CID 119824771) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
PubChem CID119824771
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Name4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
SMILESCCCN(C(=O)CCCOc1cccc(Br)c1)C1CCNCC1
InChIInChI=1S/C18H27BrN2O2/c1-2-12-21(16-8-10-20-11-9-16)18(22)7-4-13-23-17-6-3-5-15(19)14-17/h3,5-6,14,16,20H,2,4,7-13H2,1H3
InChIKeyRJTIAWVXLBXQOO-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
2-(3-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532235
4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825419
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530249
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119443722
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide (CID 119824771) is 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide is CCCN(C(=O)CCCOc1cccc(Br)c1)C1CCNCC1.
What is the InChIKey of 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide?
The InChIKey is RJTIAWVXLBXQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-2-12-21(16-8-10-20-11-9-16)18(22)7-4-13-23-17-6-3-5-15(19)14-17/h3,5-6,14,16,20H,2,4,7-13H2,1H3.
What are the key properties of 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide?
4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide has a molecular weight of 383.33 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide is sourced from PubChem (CID 119824771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).