1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide

C16H18BrN3O2 — CID 42536932

IUPAC1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1
InChIInChI=1S/C16H18BrN3O2/c17-13-1-2-14-12(9-13)5-8-20(14)10-15(21)19-6-3-11(4-7-19)16(18)22/h1-2,5,8-9,11H,3-4,6-7,10H2,(H2,18,22)
InChIKeyYBIUEOIEPFHXKS-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 42536932) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID42536932
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1
InChIInChI=1S/C16H18BrN3O2/c17-13-1-2-14-12(9-13)5-8-20(14)10-15(21)19-6-3-11(4-7-19)16(18)22/h1-2,5,8-9,11H,3-4,6-7,10H2,(H2,18,22)
InChIKeyYBIUEOIEPFHXKS-UHFFFAOYSA-N
XLogP2.13
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bromazepam
CID 2441
(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(5-bromo-1H-indol-3-yl)-acetamide
CID 11539744
3-[[1-(3-Methylbut-2-enyl)indol-3-yl]methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 10959141
N-(4-bromo-2-methylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
CID 10024158
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide
CID 11245659
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-2-carboxamide
CID 11394601
1-(2-{4-[5-Bromo-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006456
N-(2-(5-Bromo-1H-indol-3-yl)ethyl)acetamide
CID 44281234
5-bromo-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 146630701
N-benzyl-5-bromo-N-methyl-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]indole-3-carboxamide
CID 146630731
2-(2-(6-bromo-1H-indol-1-yl)acetamido)acetic acid
CID 29131252

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide (CID 42536932) is 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1.
What is the InChIKey of 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is YBIUEOIEPFHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c17-13-1-2-14-12(9-13)5-8-20(14)10-15(21)19-6-3-11(4-7-19)16(18)22/h1-2,5,8-9,11H,3-4,6-7,10H2,(H2,18,22).
What are the key properties of 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 42536932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).