1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C15H25N3O3 — CID 72837276

IUPAC1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CC[C@](C)(O)[C@@H](O)C1
InChIInChI=1S/C15H25N3O3/c1-10-12(11(2)17(4)16-10)5-6-14(20)18-8-7-15(3,21)13(19)9-18/h13,19,21H,5-9H2,1-4H3/t13-,15-/m0/s1
InChIKeyBSWGEMGNRFVFFE-ZFWWWQNUSA-N
MW295.38 g/mol
LogP0.31
Rot. Bonds3

About 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 72837276) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID72837276
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CC[C@](C)(O)[C@@H](O)C1
InChIInChI=1S/C15H25N3O3/c1-10-12(11(2)17(4)16-10)5-6-14(20)18-8-7-15(3,21)13(19)9-18/h13,19,21H,5-9H2,1-4H3/t13-,15-/m0/s1
InChIKeyBSWGEMGNRFVFFE-ZFWWWQNUSA-N
XLogP0.31
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 72837276) is 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1CCC(=O)N1CC[C@](C)(O)[C@@H](O)C1.
What is the InChIKey of 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is BSWGEMGNRFVFFE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-12(11(2)17(4)16-10)5-6-14(20)18-8-7-15(3,21)13(19)9-18/h13,19,21H,5-9H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 295.38 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 72837276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).