1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C21H25BrN4O2 — CID 86882210

IUPAC1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)cn1
InChIInChI=1S/C21H25BrN4O2/c1-2-26-14-18(13-23-26)24-19(27)15-6-10-25(11-7-15)20(28)21(8-9-21)16-4-3-5-17(22)12-16/h3-5,12-15H,2,6-11H2,1H3,(H,24,27)
InChIKeyHEHMSMZIXFBTTH-UHFFFAOYSA-N
MW445.36 g/mol
LogP3.57
Rot. Bonds5

About 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 86882210) has the molecular formula C21H25BrN4O2 and a molecular weight of 445.36 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID86882210
Molecular FormulaC21H25BrN4O2
Molecular Weight445.36 g/mol
Exact Mass444.12
IUPAC Name1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)cn1
InChIInChI=1S/C21H25BrN4O2/c1-2-26-14-18(13-23-26)24-19(27)15-6-10-25(11-7-15)20(28)21(8-9-21)16-4-3-5-17(22)12-16/h3-5,12-15H,2,6-11H2,1H3,(H,24,27)
InChIKeyHEHMSMZIXFBTTH-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide
CID 86973542
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-propylpiperidine-4-carboxamide
CID 134003440
1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973504
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112813855
1-[5-bromo-2-(dimethylamino)pyridine-3-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947533
(3S)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124703158
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 86882196
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
N-(1-ethylpyrazol-4-yl)-1-[4-(4-nitroanilino)butanoyl]piperidine-4-carboxamide
CID 86973524
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 86882210) is 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)cn1.
What is the InChIKey of 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is HEHMSMZIXFBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O2/c1-2-26-14-18(13-23-26)24-19(27)15-6-10-25(11-7-15)20(28)21(8-9-21)16-4-3-5-17(22)12-16/h3-5,12-15H,2,6-11H2,1H3,(H,24,27).
What are the key properties of 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86882210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).