3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one

C18H26N2O3 — CID 45201195

IUPAC3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN3CCOCC3)C2=O)c1
InChIInChI=1S/C18H26N2O3/c1-15-4-2-5-16(12-15)13-20-7-3-6-18(22,17(20)21)14-19-8-10-23-11-9-19/h2,4-5,12,22H,3,6-11,13-14H2,1H3
InChIKeyRUQLEDKSPISEOJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.18
Rot. Bonds4

About 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one

3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one (PubChem CID 45201195) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one
PubChem CID45201195
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN3CCOCC3)C2=O)c1
InChIInChI=1S/C18H26N2O3/c1-15-4-2-5-16(12-15)13-20-7-3-6-18(22,17(20)21)14-19-8-10-23-11-9-19/h2,4-5,12,22H,3,6-11,13-14H2,1H3
InChIKeyRUQLEDKSPISEOJ-UHFFFAOYSA-N
XLogP1.18
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one (CID 45201195) is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one is Cc1cccc(CN2CCCC(O)(CN3CCOCC3)C2=O)c1.
What is the InChIKey of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one?
The InChIKey is RUQLEDKSPISEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-15-4-2-5-16(12-15)13-20-7-3-6-18(22,17(20)21)14-19-8-10-23-11-9-19/h2,4-5,12,22H,3,6-11,13-14H2,1H3.
What are the key properties of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one?
3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-(morpholin-4-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45201195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).