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

C19H27ClN2O3 — CID 95211388

IUPAC[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H27ClN2O3/c1-24-12-10-21-8-6-16(7-9-21)19(23)22-11-13-25-18(14-22)15-2-4-17(20)5-3-15/h2-5,16,18H,6-14H2,1H3/t18-/m1/s1
InChIKeyNEUYZMBIAFDIHI-GOSISDBHSA-N
MW366.89 g/mol
LogP2.60
Rot. Bonds5

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

[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone (PubChem CID 95211388) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
PubChem CID95211388
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H27ClN2O3/c1-24-12-10-21-8-6-16(7-9-21)19(23)22-11-13-25-18(14-22)15-2-4-17(20)5-3-15/h2-5,16,18H,6-14H2,1H3/t18-/m1/s1
InChIKeyNEUYZMBIAFDIHI-GOSISDBHSA-N
XLogP2.60
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine
CID 95564082
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
CID 92969335
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110102575
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The IUPAC name of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone (CID 95211388) is [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone is COCCN1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The InChIKey is NEUYZMBIAFDIHI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-24-12-10-21-8-6-16(7-9-21)19(23)22-11-13-25-18(14-22)15-2-4-17(20)5-3-15/h2-5,16,18H,6-14H2,1H3/t18-/m1/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone has a molecular weight of 366.89 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 95211388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).