(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one

C21H28N4O2 — CID 25493591

IUPAC(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
SMILESCN(Cc1cccc(-n2cccn2)c1)C[C@]1(O)CCCN(CC2CC2)C1=O
InChIInChI=1S/C21H28N4O2/c1-23(14-18-5-2-6-19(13-18)25-12-4-10-22-25)16-21(27)9-3-11-24(20(21)26)15-17-7-8-17/h2,4-6,10,12-13,17,27H,3,7-9,11,14-16H2,1H3/t21-/m1/s1
InChIKeyWNCXSZVNJGMFTE-OAQYLSRUSA-N
MW368.48 g/mol
LogP2.07
Rot. Bonds7

About (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one

(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one (PubChem CID 25493591) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
PubChem CID25493591
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
SMILESCN(Cc1cccc(-n2cccn2)c1)C[C@]1(O)CCCN(CC2CC2)C1=O
InChIInChI=1S/C21H28N4O2/c1-23(14-18-5-2-6-19(13-18)25-12-4-10-22-25)16-21(27)9-3-11-24(20(21)26)15-17-7-8-17/h2,4-6,10,12-13,17,27H,3,7-9,11,14-16H2,1H3/t21-/m1/s1
InChIKeyWNCXSZVNJGMFTE-OAQYLSRUSA-N
XLogP2.07
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one with MolForge

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Related Compounds

(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
CID 42565885
3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56741681
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
CID 26330916
(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 42595185
(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42460789
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidin-2-one
CID 45245501
1-(2-cyclohexylethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
CID 56742880
1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45219362
(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 42214263
(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 26397324
3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56739653
methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate
CID 45251710

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one (CID 25493591) is (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one is CN(Cc1cccc(-n2cccn2)c1)C[C@]1(O)CCCN(CC2CC2)C1=O.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is WNCXSZVNJGMFTE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23(14-18-5-2-6-19(13-18)25-12-4-10-22-25)16-21(27)9-3-11-24(20(21)26)15-17-7-8-17/h2,4-6,10,12-13,17,27H,3,7-9,11,14-16H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 368.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 25493591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).