2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide

C15H23N7O — CID 126444957

IUPAC2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCCn1ccnn1
InChIInChI=1S/C15H23N7O/c23-15(17-6-2-8-21-10-7-18-20-21)12-22-9-4-14(19-22)13-3-1-5-16-11-13/h4,7,9-10,13,16H,1-3,5-6,8,11-12H2,(H,17,23)/t13-/m1/s1
InChIKeyOXFGGWVFOLDGFL-CYBMUJFWSA-N
MW317.40 g/mol
LogP0.15
Rot. Bonds7

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

2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide (PubChem CID 126444957) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
PubChem CID126444957
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCCn1ccnn1
InChIInChI=1S/C15H23N7O/c23-15(17-6-2-8-21-10-7-18-20-21)12-22-9-4-14(19-22)13-3-1-5-16-11-13/h4,7,9-10,13,16H,1-3,5-6,8,11-12H2,(H,17,23)/t13-/m1/s1
InChIKeyOXFGGWVFOLDGFL-CYBMUJFWSA-N
XLogP0.15
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428752
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954
N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126443272
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514
formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 154904425
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068274
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126438280

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide (CID 126444957) is 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide is O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCCn1ccnn1.
What is the InChIKey of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide?
The InChIKey is OXFGGWVFOLDGFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N7O/c23-15(17-6-2-8-21-10-7-18-20-21)12-22-9-4-14(19-22)13-3-1-5-16-11-13/h4,7,9-10,13,16H,1-3,5-6,8,11-12H2,(H,17,23)/t13-/m1/s1.
What are the key properties of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide?
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide has a molecular weight of 317.40 g/mol, XLogP of 0.15, 7 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-[3-(triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 126444957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).