(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one

C19H22N2O3 — CID 97351119

IUPAC(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
SMILESCOc1ccc(Oc2ccc(CN[C@@H]3CCC(=O)NC3)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-16-7-9-18(10-8-16)24-17-5-2-14(3-6-17)12-20-15-4-11-19(22)21-13-15/h2-3,5-10,15,20H,4,11-13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyAREXVGFVPCPWDT-OAHLLOKOSA-N
MW326.40 g/mol
LogP2.86
Rot. Bonds6

About (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one

(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one (PubChem CID 97351119) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
PubChem CID97351119
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
SMILESCOc1ccc(Oc2ccc(CN[C@@H]3CCC(=O)NC3)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-16-7-9-18(10-8-16)24-17-5-2-14(3-6-17)12-20-15-4-11-19(22)21-13-15/h2-3,5-10,15,20H,4,11-13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyAREXVGFVPCPWDT-OAHLLOKOSA-N
XLogP2.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one with MolForge

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Related Compounds

methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate
CID 55246254
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77027848
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one?
The IUPAC name of (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one (CID 97351119) is (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one.
What is the SMILES notation for (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one?
The canonical SMILES for (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one is COc1ccc(Oc2ccc(CN[C@@H]3CCC(=O)NC3)cc2)cc1.
What is the InChIKey of (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one?
The InChIKey is AREXVGFVPCPWDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-16-7-9-18(10-8-16)24-17-5-2-14(3-6-17)12-20-15-4-11-19(22)21-13-15/h2-3,5-10,15,20H,4,11-13H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one?
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one is sourced from PubChem (CID 97351119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).