(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one

C21H29FN2O3 — CID 125178160

IUPAC(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
SMILESO=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CC2CCC2)CC1
InChIInChI=1S/C21H29FN2O3/c22-17-4-6-19(7-5-17)26-14-20-13-24(21(25)15-27-20)18-8-10-23(11-9-18)12-16-2-1-3-16/h4-7,16,18,20H,1-3,8-15H2/t20-/m0/s1
InChIKeySFSAZOCCGFLGBS-FQEVSTJZSA-N
MW376.47 g/mol
LogP2.70
Rot. Bonds6

About (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one

(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one (PubChem CID 125178160) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one.

Molecular Properties

Compound Name(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
PubChem CID125178160
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
SMILESO=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CC2CCC2)CC1
InChIInChI=1S/C21H29FN2O3/c22-17-4-6-19(7-5-17)26-14-20-13-24(21(25)15-27-20)18-8-10-23(11-9-18)12-16-2-1-3-16/h4-7,16,18,20H,1-3,8-15H2/t20-/m0/s1
InChIKeySFSAZOCCGFLGBS-FQEVSTJZSA-N
XLogP2.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
CID 125159849
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
CID 125170900
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 125177176
6-[(4-fluorophenoxy)methyl]-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118773433
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
CID 125156221
6-[(4-fluorophenoxy)methyl]-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 118791221
6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one
CID 154571138
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125176828
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
CID 125175144
6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 118790903
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 125179516

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The IUPAC name of (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one (CID 125178160) is (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one.
What is the SMILES notation for (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The canonical SMILES for (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one is O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CC2CCC2)CC1.
What is the InChIKey of (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The InChIKey is SFSAZOCCGFLGBS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29FN2O3/c22-17-4-6-19(7-5-17)26-14-20-13-24(21(25)15-27-20)18-8-10-23(11-9-18)12-16-2-1-3-16/h4-7,16,18,20H,1-3,8-15H2/t20-/m0/s1.
What are the key properties of (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one has a molecular weight of 376.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one is sourced from PubChem (CID 125178160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).