1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C20H25BrN4O3 — CID 86973504

IUPAC1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)CCOc3cccc(Br)c3)CC2)cn1
InChIInChI=1S/C20H25BrN4O3/c1-2-25-14-17(13-22-25)23-20(27)15-6-9-24(10-7-15)19(26)8-11-28-18-5-3-4-16(21)12-18/h3-5,12-15H,2,6-11H2,1H3,(H,23,27)
InChIKeyYPWFODFWJDUMNS-UHFFFAOYSA-N
MW449.35 g/mol
LogP3.31
Rot. Bonds7

About 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 86973504) has the molecular formula C20H25BrN4O3 and a molecular weight of 449.35 g/mol. Its IUPAC name is 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID86973504
Molecular FormulaC20H25BrN4O3
Molecular Weight449.35 g/mol
Exact Mass448.11
IUPAC Name1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)CCOc3cccc(Br)c3)CC2)cn1
InChIInChI=1S/C20H25BrN4O3/c1-2-25-14-17(13-22-25)23-20(27)15-6-9-24(10-7-15)19(26)8-11-28-18-5-3-4-16(21)12-18/h3-5,12-15H,2,6-11H2,1H3,(H,23,27)
InChIKeyYPWFODFWJDUMNS-UHFFFAOYSA-N
XLogP3.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882210
1-[3-(3-bromophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 43238981
1-[4-(2,4-difluorophenoxy)butanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882164
1-[5-bromo-2-(dimethylamino)pyridine-3-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947533
N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide
CID 86884569
3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 86865510
3-(3-bromophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622818
1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
CID 49402998

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 86973504) is 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)CCOc3cccc(Br)c3)CC2)cn1.
What is the InChIKey of 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is YPWFODFWJDUMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O3/c1-2-25-14-17(13-22-25)23-20(27)15-6-9-24(10-7-15)19(26)8-11-28-18-5-3-4-16(21)12-18/h3-5,12-15H,2,6-11H2,1H3,(H,23,27).
What are the key properties of 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 449.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86973504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).