2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

C14H21N7O — CID 126454178

IUPAC2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCn1cncn1
InChIInChI=1S/C14H21N7O/c22-14(17-5-7-21-11-16-10-18-21)9-20-6-3-13(19-20)12-2-1-4-15-8-12/h3,6,10-12,15H,1-2,4-5,7-9H2,(H,17,22)/t12-/m1/s1
InChIKeyBHZPLKUPEIFIAZ-GFCCVEGCSA-N
MW303.37 g/mol
LogP-0.24
Rot. Bonds6

About 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 126454178) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID126454178
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCn1cncn1
InChIInChI=1S/C14H21N7O/c22-14(17-5-7-21-11-16-10-18-21)9-20-6-3-13(19-20)12-2-1-4-15-8-12/h3,6,10-12,15H,1-2,4-5,7-9H2,(H,17,22)/t12-/m1/s1
InChIKeyBHZPLKUPEIFIAZ-GFCCVEGCSA-N
XLogP-0.24
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (CID 126454178) is 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCn1cncn1.
What is the InChIKey of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is BHZPLKUPEIFIAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N7O/c22-14(17-5-7-21-11-16-10-18-21)9-20-6-3-13(19-20)12-2-1-4-15-8-12/h3,6,10-12,15H,1-2,4-5,7-9H2,(H,17,22)/t12-/m1/s1.
What are the key properties of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 303.37 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 126454178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).