3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one

C19H25N3O3 — CID 45244658

IUPAC3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN(C)Cc3ccon3)C2=O)c1
InChIInChI=1S/C19H25N3O3/c1-15-5-3-6-16(11-15)12-22-9-4-8-19(24,18(22)23)14-21(2)13-17-7-10-25-20-17/h3,5-7,10-11,24H,4,8-9,12-14H2,1-2H3
InChIKeyCHLDGEPJUMTPPP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.97
Rot. Bonds6

About 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one

3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one (PubChem CID 45244658) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
PubChem CID45244658
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN(C)Cc3ccon3)C2=O)c1
InChIInChI=1S/C19H25N3O3/c1-15-5-3-6-16(11-15)12-22-9-4-8-19(24,18(22)23)14-21(2)13-17-7-10-25-20-17/h3,5-7,10-11,24H,4,8-9,12-14H2,1-2H3
InChIKeyCHLDGEPJUMTPPP-UHFFFAOYSA-N
XLogP1.97
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one
CID 45247476
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 25286305
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45253289
(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 42288084
(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42193572
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidin-2-one
CID 45245501
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
CID 45245861
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45251257
2-[[3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56746440
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-2-one
CID 25377362
(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42122047

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one (CID 45244658) is 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one is Cc1cccc(CN2CCCC(O)(CN(C)Cc3ccon3)C2=O)c1.
What is the InChIKey of 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one?
The InChIKey is CHLDGEPJUMTPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15-5-3-6-16(11-15)12-22-9-4-8-19(24,18(22)23)14-21(2)13-17-7-10-25-20-17/h3,5-7,10-11,24H,4,8-9,12-14H2,1-2H3.
What are the key properties of 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one?
3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 45244658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).