N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide

C14H23N3O — CID 122566086

IUPACN-(2-pyrrol-1-ylethyl)azocane-1-carboxamide
SMILESO=C(NCCn1cccc1)N1CCCCCCC1
InChIInChI=1S/C14H23N3O/c18-14(15-8-13-16-9-6-7-10-16)17-11-4-2-1-3-5-12-17/h6-7,9-10H,1-5,8,11-13H2,(H,15,18)
InChIKeyJLHVWBAHDAWIQI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.46
Rot. Bonds3

About N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide

N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide (PubChem CID 122566086) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrol-1-ylethyl)azocane-1-carboxamide
PubChem CID122566086
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-pyrrol-1-ylethyl)azocane-1-carboxamide
SMILESO=C(NCCn1cccc1)N1CCCCCCC1
InChIInChI=1S/C14H23N3O/c18-14(15-8-13-16-9-6-7-10-16)17-11-4-2-1-3-5-12-17/h6-7,9-10H,1-5,8,11-13H2,(H,15,18)
InChIKeyJLHVWBAHDAWIQI-UHFFFAOYSA-N
XLogP2.46
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylpropyl)-N-(2-pyrrol-1-ylethyl)-1,4-diazepane-1-carboxamide
CID 122556951
4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 122141719
3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 75520585
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
N-(6-hydroxyhexyl)piperidine-1-carboxamide
CID 103918692

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide?
The IUPAC name of N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide (CID 122566086) is N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide.
What is the SMILES notation for N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide?
The canonical SMILES for N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide is O=C(NCCn1cccc1)N1CCCCCCC1.
What is the InChIKey of N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide?
The InChIKey is JLHVWBAHDAWIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c18-14(15-8-13-16-9-6-7-10-16)17-11-4-2-1-3-5-12-17/h6-7,9-10H,1-5,8,11-13H2,(H,15,18).
What are the key properties of N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide?
N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide is sourced from PubChem (CID 122566086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).