N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H25N5O2 — CID 120919791

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H25N5O2/c1-14(2,3)19-12(21)11-17-13(22)15(5-8-16-9-6-15)20-10-4-7-18-20/h4,7,10,16H,5-6,8-9,11H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyQWFOQPMGLFICDG-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.01
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120919791) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120919791
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H25N5O2/c1-14(2,3)19-12(21)11-17-13(22)15(5-8-16-9-6-15)20-10-4-7-18-20/h4,7,10,16H,5-6,8-9,11H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyQWFOQPMGLFICDG-UHFFFAOYSA-N
XLogP-0.01
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120919791) is N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)(C)NC(=O)CNC(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is QWFOQPMGLFICDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-14(2,3)19-12(21)11-17-13(22)15(5-8-16-9-6-15)20-10-4-7-18-20/h4,7,10,16H,5-6,8-9,11H2,1-3H3,(H,17,22)(H,19,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120919791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).