3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide

C13H21N5O2 — CID 122570220

IUPAC3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
SMILESO=C(CCN1CCCCCC1=O)NCCn1ccnn1
InChIInChI=1S/C13H21N5O2/c19-12(14-6-10-18-11-7-15-16-18)5-9-17-8-3-1-2-4-13(17)20/h7,11H,1-6,8-10H2,(H,14,19)
InChIKeyUJVPYNYZHWRFCR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.19
Rot. Bonds6

About 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide

3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide (PubChem CID 122570220) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
PubChem CID122570220
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
SMILESO=C(CCN1CCCCCC1=O)NCCn1ccnn1
InChIInChI=1S/C13H21N5O2/c19-12(14-6-10-18-11-7-15-16-18)5-9-17-8-3-1-2-4-13(17)20/h7,11H,1-6,8-10H2,(H,14,19)
InChIKeyUJVPYNYZHWRFCR-UHFFFAOYSA-N
XLogP0.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131926036
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122557943
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 126799160
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide (CID 122570220) is 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide is O=C(CCN1CCCCCC1=O)NCCn1ccnn1.
What is the InChIKey of 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The InChIKey is UJVPYNYZHWRFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-12(14-6-10-18-11-7-15-16-18)5-9-17-8-3-1-2-4-13(17)20/h7,11H,1-6,8-10H2,(H,14,19).
What are the key properties of 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 122570220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).