1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone

C20H28N2O3 — CID 110740943

IUPAC1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)CC1
InChIInChI=1S/C20H28N2O3/c1-16(23)21-11-9-18(10-12-21)20(24)22-13-14-25-19(15-22)8-7-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3
InChIKeyPKWXMWRZIFSSQR-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.11
Rot. Bonds4

About 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone

1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110740943) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
PubChem CID110740943
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)CC1
InChIInChI=1S/C20H28N2O3/c1-16(23)21-11-9-18(10-12-21)20(24)22-13-14-25-19(15-22)8-7-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3
InChIKeyPKWXMWRZIFSSQR-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
CID 45219447
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 110740938
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone (CID 110740943) is 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)CC1.
What is the InChIKey of 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is PKWXMWRZIFSSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-16(23)21-11-9-18(10-12-21)20(24)22-13-14-25-19(15-22)8-7-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3.
What are the key properties of 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 344.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110740943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).