(5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one

C19H22N6O — CID 167938632

IUPAC(5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one
SMILESCn1ccnc1[C@@H]1NC(=O)CC[C@H]1NCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H22N6O/c1-24-12-10-20-19(24)18-16(7-8-17(26)22-18)21-13-14-9-11-25(23-14)15-5-3-2-4-6-15/h2-6,9-12,16,18,21H,7-8,13H2,1H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyXBXVDWOIHKKDHZ-SJLPKXTDSA-N
MW350.43 g/mol
LogP1.72
Rot. Bonds5

About (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one

(5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one (PubChem CID 167938632) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one
PubChem CID167938632
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one
SMILESCn1ccnc1[C@@H]1NC(=O)CC[C@H]1NCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H22N6O/c1-24-12-10-20-19(24)18-16(7-8-17(26)22-18)21-13-14-9-11-25(23-14)15-5-3-2-4-6-15/h2-6,9-12,16,18,21H,7-8,13H2,1H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyXBXVDWOIHKKDHZ-SJLPKXTDSA-N
XLogP1.72
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]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

2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 62887093
(5R,6R)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one
CID 154802647
N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine
CID 115595875
1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 110934345
1-cyclopentyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110990848
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 113224886
2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
CID 62887278
(3S,4S)-4-benzyl-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
CID 167939417
1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 83093025
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126263

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one?
The IUPAC name of (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one (CID 167938632) is (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one.
What is the SMILES notation for (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one?
The canonical SMILES for (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one is Cn1ccnc1[C@@H]1NC(=O)CC[C@H]1NCc1ccn(-c2ccccc2)n1.
What is the InChIKey of (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one?
The InChIKey is XBXVDWOIHKKDHZ-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24-12-10-20-19(24)18-16(7-8-17(26)22-18)21-13-14-9-11-25(23-14)15-5-3-2-4-6-15/h2-6,9-12,16,18,21H,7-8,13H2,1H3,(H,22,26)/t16-,18-/m1/s1.
What are the key properties of (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one?
(5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one has a molecular weight of 350.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-(1-methylimidazol-2-yl)-5-[(1-phenylpyrazol-3-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 167938632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).