N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

C16H28N4O3 — CID 45221917

IUPACN-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(CC(O)CO)CC1
InChIInChI=1S/C16H28N4O3/c1-16(2,3)15(23)18-14-4-7-17-20(14)12-5-8-19(9-6-12)10-13(22)11-21/h4,7,12-13,21-22H,5-6,8-11H2,1-3H3,(H,18,23)
InChIKeyBJPUXUJHMYAHFN-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.86
Rot. Bonds5

About N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 45221917) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID45221917
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(CC(O)CO)CC1
InChIInChI=1S/C16H28N4O3/c1-16(2,3)15(23)18-14-4-7-17-20(14)12-5-8-19(9-6-12)10-13(22)11-21/h4,7,12-13,21-22H,5-6,8-11H2,1-3H3,(H,18,23)
InChIKeyBJPUXUJHMYAHFN-UHFFFAOYSA-N
XLogP0.86
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[1-(2,3-dihydroxypropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818917
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45240879
N-(2-cyclopentylpyrazol-3-yl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 45863068
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide
CID 141377117
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-[1-(propan-2-yl)-1H-pyrazol-5-yl]acetamide
CID 56802237
2,2-dimethyl-N-{1-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 26395668
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
CID 109968134
N-{1-[1-(2-butynoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25447141
2,2-dimethyl-N-[1-(1'-propyl-1,4'-bipiperidin-4-yl)-1H-pyrazol-5-yl]propanamide
CID 26316039
1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 30186298

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (CID 45221917) is N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(CC(O)CO)CC1.
What is the InChIKey of N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is BJPUXUJHMYAHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(2,3)15(23)18-14-4-7-17-20(14)12-5-8-19(9-6-12)10-13(22)11-21/h4,7,12-13,21-22H,5-6,8-11H2,1-3H3,(H,18,23).
What are the key properties of N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 324.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 45221917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).