6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C16H21ClN2O2 — CID 162533421

IUPAC6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c1-11-10-21-7-6-19(11)12-8-15(18-16(20)9-12)13-4-2-3-5-14(13)17/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,12?,15?/m1/s1
InChIKeyGZWRCUPQFBNLJJ-XIKARTHZSA-N
MW308.81 g/mol
LogP2.38
Rot. Bonds2

About 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 162533421) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID162533421
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c1-11-10-21-7-6-19(11)12-8-15(18-16(20)9-12)13-4-2-3-5-14(13)17/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,12?,15?/m1/s1
InChIKeyGZWRCUPQFBNLJJ-XIKARTHZSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 162533421) is 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(c2ccccc2Cl)C1.
What is the InChIKey of 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is GZWRCUPQFBNLJJ-XIKARTHZSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11-10-21-7-6-19(11)12-8-15(18-16(20)9-12)13-4-2-3-5-14(13)17/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,12?,15?/m1/s1.
What are the key properties of 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 308.81 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 162533421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).