1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone

C20H30N2O2 — CID 95554015

IUPAC1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c23-20(17-21-12-5-2-6-13-21)22-14-15-24-19(16-22)11-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2/t19-/m0/s1
InChIKeyMXOYXCKIMKZHGM-IBGZPJMESA-N
MW330.47 g/mol
LogP2.72
Rot. Bonds6

About 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone

1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone (PubChem CID 95554015) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone
PubChem CID95554015
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c23-20(17-21-12-5-2-6-13-21)22-14-15-24-19(16-22)11-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2/t19-/m0/s1
InChIKeyMXOYXCKIMKZHGM-IBGZPJMESA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone (CID 95554015) is 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone?
The InChIKey is MXOYXCKIMKZHGM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N2O2/c23-20(17-21-12-5-2-6-13-21)22-14-15-24-19(16-22)11-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone?
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone has a molecular weight of 330.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 95554015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).