1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one

C17H28N4O2 — CID 45202380

IUPAC1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
SMILESCC(C)(C)CN1CCCC(O)(CN2CCc3[nH]ncc3C2)C1=O
InChIInChI=1S/C17H28N4O2/c1-16(2,3)11-21-7-4-6-17(23,15(21)22)12-20-8-5-14-13(10-20)9-18-19-14/h9,23H,4-8,10-12H2,1-3H3,(H,18,19)
InChIKeySWAIQAFHQGCSTA-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.17
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one

1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one (PubChem CID 45202380) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
PubChem CID45202380
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
SMILESCC(C)(C)CN1CCCC(O)(CN2CCc3[nH]ncc3C2)C1=O
InChIInChI=1S/C17H28N4O2/c1-16(2,3)11-21-7-4-6-17(23,15(21)22)12-20-8-5-14-13(10-20)9-18-19-14/h9,23H,4-8,10-12H2,1-3H3,(H,18,19)
InChIKeySWAIQAFHQGCSTA-UHFFFAOYSA-N
XLogP1.17
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527256
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527165
1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45189221
1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45210551
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
CID 42530364
3,3,3-Trifluoro-2-hydroxy-2-methyl-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 126527166
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 137378997
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 137379013
7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide
CID 21102079
3,3-Dimethyl-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 67977976
Tert-butyl 7-carbamoyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 70305538
N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
CID 91329725

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one (CID 45202380) is 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one is CC(C)(C)CN1CCCC(O)(CN2CCc3[nH]ncc3C2)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
The InChIKey is SWAIQAFHQGCSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-16(2,3)11-21-7-4-6-17(23,15(21)22)12-20-8-5-14-13(10-20)9-18-19-14/h9,23H,4-8,10-12H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one?
1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one has a molecular weight of 320.44 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45202380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).