N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

C11H16N4O2 — CID 113223533

IUPACN-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1nccc1CNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H16N4O2/c1-15-9(4-5-14-15)7-13-11(17)8-2-3-10(16)12-6-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,17)
InChIKeyWBFWKKLPUHIPJM-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.44
Rot. Bonds3

About N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 113223533) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID113223533
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1nccc1CNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H16N4O2/c1-15-9(4-5-14-15)7-13-11(17)8-2-3-10(16)12-6-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,17)
InChIKeyWBFWKKLPUHIPJM-UHFFFAOYSA-N
XLogP-0.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119727673
1-cyclopentyl-N-[(2-methylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86979242
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 63302884
1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438736
N-[(3-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 82748805
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78941991
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 122254077

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 113223533) is N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is Cn1nccc1CNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WBFWKKLPUHIPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-9(4-5-14-15)7-13-11(17)8-2-3-10(16)12-6-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,17).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 113223533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).