(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one

C22H32N2O2 — CID 97127089

IUPAC(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one
SMILESC[C@@]1(c2ccccc2)CCC(=O)N(CC2(N3CCOCC3)CCCC2)C1
InChIInChI=1S/C22H32N2O2/c1-21(19-7-3-2-4-8-19)12-9-20(25)23(17-21)18-22(10-5-6-11-22)24-13-15-26-16-14-24/h2-4,7-8H,5-6,9-18H2,1H3/t21-/m1/s1
InChIKeyWMFQEWQGCKXYSV-OAQYLSRUSA-N
MW356.51 g/mol
LogP3.21
Rot. Bonds4

About (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one

(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one (PubChem CID 97127089) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one
PubChem CID97127089
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one
SMILESC[C@@]1(c2ccccc2)CCC(=O)N(CC2(N3CCOCC3)CCCC2)C1
InChIInChI=1S/C22H32N2O2/c1-21(19-7-3-2-4-8-19)12-9-20(25)23(17-21)18-22(10-5-6-11-22)24-13-15-26-16-14-24/h2-4,7-8H,5-6,9-18H2,1H3/t21-/m1/s1
InChIKeyWMFQEWQGCKXYSV-OAQYLSRUSA-N
XLogP3.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
CID 70732107
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70751427
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844
(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
CID 97151583
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one?
The IUPAC name of (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one (CID 97127089) is (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one.
What is the SMILES notation for (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one?
The canonical SMILES for (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one is C[C@@]1(c2ccccc2)CCC(=O)N(CC2(N3CCOCC3)CCCC2)C1.
What is the InChIKey of (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one?
The InChIKey is WMFQEWQGCKXYSV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-21(19-7-3-2-4-8-19)12-9-20(25)23(17-21)18-22(10-5-6-11-22)24-13-15-26-16-14-24/h2-4,7-8H,5-6,9-18H2,1H3/t21-/m1/s1.
What are the key properties of (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one?
(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one has a molecular weight of 356.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one is sourced from PubChem (CID 97127089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).