1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one

C10H16N4O — CID 176931657

IUPAC1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
SMILESO=C(CCn1ccnn1)N1CCCCC1
InChIInChI=1S/C10H16N4O/c15-10(13-6-2-1-3-7-13)4-8-14-9-5-11-12-14/h5,9H,1-4,6-8H2
InChIKeyVHAXDNOQQYSSNH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.68
Rot. Bonds3

About 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one

1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one (PubChem CID 176931657) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
PubChem CID176931657
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
SMILESO=C(CCn1ccnn1)N1CCCCC1
InChIInChI=1S/C10H16N4O/c15-10(13-6-2-1-3-7-13)4-8-14-9-5-11-12-14/h5,9H,1-4,6-8H2
InChIKeyVHAXDNOQQYSSNH-UHFFFAOYSA-N
XLogP0.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one (CID 176931657) is 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one is O=C(CCn1ccnn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one?
The InChIKey is VHAXDNOQQYSSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10(13-6-2-1-3-7-13)4-8-14-9-5-11-12-14/h5,9H,1-4,6-8H2.
What are the key properties of 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one?
1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 176931657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).