1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide

C21H25BrN2O2S — CID 25387932

IUPAC1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1cccs1
InChIInChI=1S/C21H25BrN2O2S/c1-14(2)19(18-4-3-13-27-18)23-20(25)15-9-11-24(12-10-15)21(26)16-5-7-17(22)8-6-16/h3-8,13-15,19H,9-12H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyNIJPNFVRPGIDEX-LJQANCHMSA-N
MW449.41 g/mol
LogP4.88
Rot. Bonds5

About 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide (PubChem CID 25387932) has the molecular formula C21H25BrN2O2S and a molecular weight of 449.41 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide
PubChem CID25387932
Molecular FormulaC21H25BrN2O2S
Molecular Weight449.41 g/mol
Exact Mass448.08
IUPAC Name1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1cccs1
InChIInChI=1S/C21H25BrN2O2S/c1-14(2)19(18-4-3-13-27-18)23-20(25)15-9-11-24(12-10-15)21(26)16-5-7-17(22)8-6-16/h3-8,13-15,19H,9-12H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyNIJPNFVRPGIDEX-LJQANCHMSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide
CID 55763251
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 46560202
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 94794763
1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 46655706
1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46468435

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide (CID 25387932) is 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide is CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1cccs1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide?
The InChIKey is NIJPNFVRPGIDEX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25BrN2O2S/c1-14(2)19(18-4-3-13-27-18)23-20(25)15-9-11-24(12-10-15)21(26)16-5-7-17(22)8-6-16/h3-8,13-15,19H,9-12H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 25387932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).