1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide

C17H23BrN2O3 — CID 49403328

IUPAC1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)COc2ccc(Br)cc2)C1
InChIInChI=1S/C17H23BrN2O3/c1-2-9-19-17(22)13-4-3-10-20(11-13)16(21)12-23-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyDRAMDVKGWJYXPL-UHFFFAOYSA-N
MW383.29 g/mol
LogP2.59
Rot. Bonds6

About 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide

1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide (PubChem CID 49403328) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
PubChem CID49403328
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC Name1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)COc2ccc(Br)cc2)C1
InChIInChI=1S/C17H23BrN2O3/c1-2-9-19-17(22)13-4-3-10-20(11-13)16(21)12-23-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyDRAMDVKGWJYXPL-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793928
methyl 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylate
CID 78918831
1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
CID 49402998
1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810706
1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403003
N-(2-aminoethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxamide
CID 119480111
1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
CID 49403155
N-(2-aminoethyl)-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481359
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
CID 95158709
N-[2-(4-aminophenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119547681

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide (CID 49403328) is 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)COc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is DRAMDVKGWJYXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-2-9-19-17(22)13-4-3-10-20(11-13)16(21)12-23-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,19,22).
What are the key properties of 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide?
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49403328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).