N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide

C18H31N3O4 — CID 25455905

IUPACN-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)CN2CCCCC2=O)CC1
InChIInChI=1S/C18H31N3O4/c1-25-13-9-19-16(22)6-5-15-7-11-20(12-8-15)18(24)14-21-10-3-2-4-17(21)23/h15H,2-14H2,1H3,(H,19,22)
InChIKeyNQQLQJCFXDMTCZ-UHFFFAOYSA-N
MW353.46 g/mol
LogP0.78
Rot. Bonds8

About N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide (PubChem CID 25455905) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide
PubChem CID25455905
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC NameN-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)CN2CCCCC2=O)CC1
InChIInChI=1S/C18H31N3O4/c1-25-13-9-19-16(22)6-5-15-7-11-20(12-8-15)18(24)14-21-10-3-2-4-17(21)23/h15H,2-14H2,1H3,(H,19,22)
InChIKeyNQQLQJCFXDMTCZ-UHFFFAOYSA-N
XLogP0.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide (CID 25455905) is N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(C(=O)CN2CCCCC2=O)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide?
The InChIKey is NQQLQJCFXDMTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-25-13-9-19-16(22)6-5-15-7-11-20(12-8-15)18(24)14-21-10-3-2-4-17(21)23/h15H,2-14H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide has a molecular weight of 353.46 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 25455905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).