N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide

C15H26N4O — CID 122161919

IUPACN-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCn1ccc(C2CCN(CC(=O)NC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O/c1-15(2,3)16-14(20)11-19-9-5-12(6-10-19)13-7-8-18(4)17-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,16,20)
InChIKeyXJZPWJFANFHWTR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.51
Rot. Bonds3

About N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide

N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 122161919) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide
PubChem CID122161919
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCn1ccc(C2CCN(CC(=O)NC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O/c1-15(2,3)16-14(20)11-19-9-5-12(6-10-19)13-7-8-18(4)17-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,16,20)
InChIKeyXJZPWJFANFHWTR-UHFFFAOYSA-N
XLogP1.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide (CID 122161919) is N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide is Cn1ccc(C2CCN(CC(=O)NC(C)(C)C)CC2)n1.
What is the InChIKey of N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is XJZPWJFANFHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)16-14(20)11-19-9-5-12(6-10-19)13-7-8-18(4)17-13/h7-8,12H,5-6,9-11H2,1-4H3,(H,16,20).
What are the key properties of N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide?
N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 122161919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).