1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone

C17H23ClN2O2 — CID 95197348

IUPAC1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H23ClN2O2/c18-15-6-4-14(5-7-15)16-12-20(10-11-22-16)17(21)13-19-8-2-1-3-9-19/h4-7,16H,1-3,8-13H2/t16-/m1/s1
InChIKeyPYGSGNMKJJWRSS-MRXNPFEDSA-N
MW322.84 g/mol
LogP2.73
Rot. Bonds3

About 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone

1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone (PubChem CID 95197348) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
PubChem CID95197348
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H23ClN2O2/c18-15-6-4-14(5-7-15)16-12-20(10-11-22-16)17(21)13-19-8-2-1-3-9-19/h4-7,16H,1-3,8-13H2/t16-/m1/s1
InChIKeyPYGSGNMKJJWRSS-MRXNPFEDSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 56817626
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 60558538
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone (CID 95197348) is 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone?
The InChIKey is PYGSGNMKJJWRSS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-6-4-14(5-7-15)16-12-20(10-11-22-16)17(21)13-19-8-2-1-3-9-19/h4-7,16H,1-3,8-13H2/t16-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone?
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone has a molecular weight of 322.84 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 95197348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).