1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone

C21H30N2O3 — CID 25452959

IUPAC1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)CC1
InChIInChI=1S/C21H30N2O3/c1-17(24)22-12-10-19(11-13-22)21(25)23-14-15-26-20(16-23)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3/t20-/m0/s1
InChIKeyXROVMPJROGQINS-FQEVSTJZSA-N
MW358.48 g/mol
LogP2.50
Rot. Bonds5

About 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone

1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone (PubChem CID 25452959) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
PubChem CID25452959
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)CC1
InChIInChI=1S/C21H30N2O3/c1-17(24)22-12-10-19(11-13-22)21(25)23-14-15-26-20(16-23)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3/t20-/m0/s1
InChIKeyXROVMPJROGQINS-FQEVSTJZSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone (CID 25452959) is 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)CC1.
What is the InChIKey of 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is XROVMPJROGQINS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-17(24)22-12-10-19(11-13-22)21(25)23-14-15-26-20(16-23)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-16H2,1H3/t20-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 358.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 25452959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).