1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C14H21N5O2 — CID 121019076

IUPAC1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(n3nccn3)C2)CC1
InChIInChI=1S/C14H21N5O2/c1-11(20)17-7-2-12(3-8-17)14(21)18-9-4-13(10-18)19-15-5-6-16-19/h5-6,12-13H,2-4,7-10H2,1H3
InChIKeyDOOYFQWPPNPZIX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.31
Rot. Bonds2

About 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 121019076) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID121019076
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(n3nccn3)C2)CC1
InChIInChI=1S/C14H21N5O2/c1-11(20)17-7-2-12(3-8-17)14(21)18-9-4-13(10-18)19-15-5-6-16-19/h5-6,12-13H,2-4,7-10H2,1H3
InChIKeyDOOYFQWPPNPZIX-UHFFFAOYSA-N
XLogP0.31
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 121019076) is 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(n3nccn3)C2)CC1.
What is the InChIKey of 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is DOOYFQWPPNPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(20)17-7-2-12(3-8-17)14(21)18-9-4-13(10-18)19-15-5-6-16-19/h5-6,12-13H,2-4,7-10H2,1H3.
What are the key properties of 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(triazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 121019076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).