[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C18H28N6O — CID 46986417

IUPAC[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)cn1
InChIInChI=1S/C18H28N6O/c1-13(2)23-11-14(10-19-23)17(25)22-8-6-15(7-9-22)24-12-16(20-21-24)18(3,4)5/h10-13,15H,6-9H2,1-5H3
InChIKeyLZXARFHDRJKQHU-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.83
Rot. Bonds3

About [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 46986417) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID46986417
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)cn1
InChIInChI=1S/C18H28N6O/c1-13(2)23-11-14(10-19-23)17(25)22-8-6-15(7-9-22)24-12-16(20-21-24)18(3,4)5/h10-13,15H,6-9H2,1-5H3
InChIKeyLZXARFHDRJKQHU-UHFFFAOYSA-N
XLogP2.83
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-cyclohexylethyl)-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 45180830
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53617276
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706385
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70739007
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70764277
[2-[(1-Methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 118739644
[9-[(1-Methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 118746670
N,5-dimethyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 77092858
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 164630775
N-[(3S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 164630818
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(triazol-1-yl)piperidin-1-yl]methanone
CID 164639164
(1-Tert-butyltriazol-4-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126827136

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 46986417) is [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)n1cc(C(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)cn1.
What is the InChIKey of [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is LZXARFHDRJKQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)23-11-14(10-19-23)17(25)22-8-6-15(7-9-22)24-12-16(20-21-24)18(3,4)5/h10-13,15H,6-9H2,1-5H3.
What are the key properties of [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 46986417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).