1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide

C14H24N6O — CID 106282622

IUPAC1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C1CCNCC1)c1ncn[nH]1
InChIInChI=1S/C14H24N6O/c1-10(13-16-9-17-19-13)18-14(21)12-3-2-8-20(12)11-4-6-15-7-5-11/h9-12,15H,2-8H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyJHWMMIKFXRYATL-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.20
Rot. Bonds4

About 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide

1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 106282622) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID106282622
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C1CCNCC1)c1ncn[nH]1
InChIInChI=1S/C14H24N6O/c1-10(13-16-9-17-19-13)18-14(21)12-3-2-8-20(12)11-4-6-15-7-5-11/h9-12,15H,2-8H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyJHWMMIKFXRYATL-UHFFFAOYSA-N
XLogP0.20
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide (CID 106282622) is 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1C1CCNCC1)c1ncn[nH]1.
What is the InChIKey of 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JHWMMIKFXRYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-10(13-16-9-17-19-13)18-14(21)12-3-2-8-20(12)11-4-6-15-7-5-11/h9-12,15H,2-8H2,1H3,(H,18,21)(H,16,17,19).
What are the key properties of 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106282622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).