N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide

C25H33BrN2O2 — CID 46560202

IUPACN-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H33BrN2O2/c1-16(25-13-17-10-18(14-25)12-19(11-17)15-25)27-23(29)20-6-8-28(9-7-20)24(30)21-2-4-22(26)5-3-21/h2-5,16-20H,6-15H2,1H3,(H,27,29)
InChIKeyDSDDENNKIUPQFO-UHFFFAOYSA-N
MW473.46 g/mol
LogP5.02
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide

N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide (PubChem CID 46560202) has the molecular formula C25H33BrN2O2 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide
PubChem CID46560202
Molecular FormulaC25H33BrN2O2
Molecular Weight473.46 g/mol
Exact Mass472.17
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H33BrN2O2/c1-16(25-13-17-10-18(14-25)12-19(11-17)15-25)27-23(29)20-6-8-28(9-7-20)24(30)21-2-4-22(26)5-3-21/h2-5,16-20H,6-15H2,1H3,(H,27,29)
InChIKeyDSDDENNKIUPQFO-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51113136
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138
1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide
CID 25387932
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 92667712
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
N-(1-adamantylmethyl)-1-(4-bromobenzoyl)-N-methylpiperidine-4-carboxamide
CID 42576280
2,2,2-trifluoroethyl 4-[[(1S)-1-(1-adamantyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 38299370
1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46468435
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide
CID 55763251
1-(4-bromobenzoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 46413518

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide (CID 46560202) is N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide?
The InChIKey is DSDDENNKIUPQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33BrN2O2/c1-16(25-13-17-10-18(14-25)12-19(11-17)15-25)27-23(29)20-6-8-28(9-7-20)24(30)21-2-4-22(26)5-3-21/h2-5,16-20H,6-15H2,1H3,(H,27,29).
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide?
N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 46560202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).