3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide

C14H27N3O3 — CID 122565060

IUPAC3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide
SMILESCCOCCC(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1
InChIInChI=1S/C14H27N3O3/c1-3-19-9-4-14(18)15-12-10-20-11-13(12)17-7-5-16(2)6-8-17/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyNDBPSRDYLCCCRP-STQMWFEESA-N
MW285.39 g/mol
LogP-0.46
Rot. Bonds6

About 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide

3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide (PubChem CID 122565060) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide
PubChem CID122565060
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide
SMILESCCOCCC(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1
InChIInChI=1S/C14H27N3O3/c1-3-19-9-4-14(18)15-12-10-20-11-13(12)17-7-5-16(2)6-8-17/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyNDBPSRDYLCCCRP-STQMWFEESA-N
XLogP-0.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide (CID 122565060) is 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide is CCOCCC(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1.
What is the InChIKey of 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide?
The InChIKey is NDBPSRDYLCCCRP-STQMWFEESA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-19-9-4-14(18)15-12-10-20-11-13(12)17-7-5-16(2)6-8-17/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m0/s1.
What are the key properties of 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide?
3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide has a molecular weight of 285.39 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]propanamide is sourced from PubChem (CID 122565060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).