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

C16H21ClN2O2 — CID 162533414

IUPAC6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one
SMILESCC1COCCN1C1CC(=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)
InChIKeyGZWRCUPQFBNLJJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.38
Rot. Bonds2

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

6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one (PubChem CID 162533414) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one
PubChem CID162533414
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one
SMILESCC1COCCN1C1CC(=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)
InChIKeyGZWRCUPQFBNLJJ-UHFFFAOYSA-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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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
N-[1-(4-chlorobenzyl)-3-piperidyl]-3-(2-ketopiperidino)propionamide
CID 24817686
1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 44528938
3-[(3S,4R)-1-[(3-chlorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 45488439
[1-(2-Chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
CID 4883314
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
US11077113, Example 8
CID 162533418
US11077113, Example 12
CID 162533422
1-(2-chlorobenzyl)-N-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3238737
2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 18136223
N-(3-chlorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24790428

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one?
The IUPAC name of 6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one (CID 162533414) is 6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one.
What is the SMILES notation for 6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one?
The canonical SMILES for 6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one is CC1COCCN1C1CC(=O)NC(c2ccccc2Cl)C1.
What is the InChIKey of 6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one?
The InChIKey is GZWRCUPQFBNLJJ-UHFFFAOYSA-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).
What are the key properties of 6-(2-chlorophenyl)-4-(3-methylmorpholin-4-yl)piperidin-2-one?
6-(2-chlorophenyl)-4-(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-(3-methylmorpholin-4-yl)piperidin-2-one is sourced from PubChem (CID 162533414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).