[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C18H29N3O3 — CID 70753146

IUPAC[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cn1
InChIInChI=1S/C18H29N3O3/c1-13(2)21-12-15(10-19-21)17(22)20-7-6-18(23,14(3)11-20)16-4-8-24-9-5-16/h10,12-14,16,23H,4-9,11H2,1-3H3/t14-,18+/m1/s1
InChIKeyAJYJCLACNUSLPJ-KDOFPFPSSA-N
MW335.45 g/mol
LogP2.10
Rot. Bonds3

About [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 70753146) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID70753146
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cn1
InChIInChI=1S/C18H29N3O3/c1-13(2)21-12-15(10-19-21)17(22)20-7-6-18(23,14(3)11-20)16-4-8-24-9-5-16/h10,12-14,16,23H,4-9,11H2,1-3H3/t14-,18+/m1/s1
InChIKeyAJYJCLACNUSLPJ-KDOFPFPSSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-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-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
(3R*,4R*)-3-methyl-1-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]carbonyl}-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72927645
(3R*,4R*)-3-methyl-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72919069
[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
[1-(Difluoromethyl)pyrazol-4-yl]-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]methanone
CID 138012583
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-3-(4-methyl-1H-pyrazol-1-yl)propanamide
CID 91834098
[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916235
Tert-butyl 3-(4-formylpyrazol-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 135237397
N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide
CID 176629618

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 70753146) is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)n1cc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cn1.
What is the InChIKey of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is AJYJCLACNUSLPJ-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)21-12-15(10-19-21)17(22)20-7-6-18(23,14(3)11-20)16-4-8-24-9-5-16/h10,12-14,16,23H,4-9,11H2,1-3H3/t14-,18+/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 2.10, 3 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-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 70753146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).