[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C16H25N3O3 — CID 72919069

IUPAC[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-12-10-19(15(20)13-9-17-18(2)11-13)6-5-16(12,21)14-3-7-22-8-4-14/h9,11-12,14,21H,3-8,10H2,1-2H3/t12-,16+/m1/s1
InChIKeyOUBCOQXYNBCEKP-WBMJQRKESA-N
MW307.39 g/mol
LogP1.06
Rot. Bonds2

About [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 72919069) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID72919069
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-12-10-19(15(20)13-9-17-18(2)11-13)6-5-16(12,21)14-3-7-22-8-4-14/h9,11-12,14,21H,3-8,10H2,1-2H3/t12-,16+/m1/s1
InChIKeyOUBCOQXYNBCEKP-WBMJQRKESA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone 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

(3R*,4R*)-3-methyl-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72845002
3-{(3R*,4S*)-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-morpholin-4-ylpiperidin-3-yl}propan-1-ol
CID 72871399
(4aS*,8aS*)-2-(cyclobutylcarbonyl)-7-[(1-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72881861
(4aS*,8aS*)-2-cyclohexyl-7-[(1-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72883110
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinol
CID 72911841
(4aS*,8aS*)-2-(cyclopentylcarbonyl)-7-[(1-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72923731
(3R*,4R*)-3-methyl-1-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]carbonyl}-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72927645
[3-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-9-(tetrahydro-2H-pyran-4-yl)-3,9-diazaspiro[5.5]undec-1-yl]methanol
CID 74239848
[4-(1-Methylpiperidin-4-yl)oxypiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916385
1-Methoxy-7-(1-methyl-1H-pyrazole-4-carbonyl)-7-azaspiro[3.5]nonane
CID 110197966
(3R*,4R*)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70753146
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-3-(4-methyl-1H-pyrazol-1-yl)propanamide
CID 91834098

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 72919069) is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is C[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is OUBCOQXYNBCEKP-WBMJQRKESA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12-10-19(15(20)13-9-17-18(2)11-13)6-5-16(12,21)14-3-7-22-8-4-14/h9,11-12,14,21H,3-8,10H2,1-2H3/t12-,16+/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 307.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 72919069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).