N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide

C16H28N4O — CID 71781232

IUPACN-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(CC2CCN(C(=O)NC(C)(C)C)CC2)n1
InChIInChI=1S/C16H28N4O/c1-12-10-13(2)20(18-12)11-14-6-8-19(9-7-14)15(21)17-16(3,4)5/h10,14H,6-9,11H2,1-5H3,(H,17,21)
InChIKeyWTGSKBQKBHIFNQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds2

About N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide

N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 71781232) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID71781232
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(CC2CCN(C(=O)NC(C)(C)C)CC2)n1
InChIInChI=1S/C16H28N4O/c1-12-10-13(2)20(18-12)11-14-6-8-19(9-7-14)15(21)17-16(3,4)5/h10,14H,6-9,11H2,1-5H3,(H,17,21)
InChIKeyWTGSKBQKBHIFNQ-UHFFFAOYSA-N
XLogP2.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide (CID 71781232) is N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide is Cc1cc(C)n(CC2CCN(C(=O)NC(C)(C)C)CC2)n1.
What is the InChIKey of N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is WTGSKBQKBHIFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-10-13(2)20(18-12)11-14-6-8-19(9-7-14)15(21)17-16(3,4)5/h10,14H,6-9,11H2,1-5H3,(H,17,21).
What are the key properties of N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71781232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).