5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one

C16H24N2O3 — CID 64654934

IUPAC5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one
SMILESCc1ccc(OCC(O)CNC2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-12-3-6-15(7-4-12)21-11-14(19)9-17-13-5-8-16(20)18(2)10-13/h3-4,6-7,13-14,17,19H,5,8-11H2,1-2H3
InChIKeyHEOMXFBMXYWCNS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.95
Rot. Bonds6

About 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one

5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one (PubChem CID 64654934) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one
PubChem CID64654934
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one
SMILESCc1ccc(OCC(O)CNC2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-12-3-6-15(7-4-12)21-11-14(19)9-17-13-5-8-16(20)18(2)10-13/h3-4,6-7,13-14,17,19H,5,8-11H2,1-2H3
InChIKeyHEOMXFBMXYWCNS-UHFFFAOYSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one
CID 107262846
1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 113467204
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
1-[(1,1-dioxothian-3-yl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63924316
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
CID 95347987
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 61462344
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928
(2S)-1-(4-methoxyphenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95323235
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
1-methyl-5-(2-methylbutylamino)piperidin-2-one
CID 64654315

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one (CID 64654934) is 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one is Cc1ccc(OCC(O)CNC2CCC(=O)N(C)C2)cc1.
What is the InChIKey of 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one?
The InChIKey is HEOMXFBMXYWCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-3-6-15(7-4-12)21-11-14(19)9-17-13-5-8-16(20)18(2)10-13/h3-4,6-7,13-14,17,19H,5,8-11H2,1-2H3.
What are the key properties of 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one?
5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64654934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).