N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide

C13H26N2O2 — CID 70287421

IUPACN-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide
SMILESCOCCCC1CCN(CCNC(C)=O)CC1
InChIInChI=1S/C13H26N2O2/c1-12(16)14-7-10-15-8-5-13(6-9-15)4-3-11-17-2/h13H,3-11H2,1-2H3,(H,14,16)
InChIKeyLIWBVGGCZHHURQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds7

About N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide

N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 70287421) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide
PubChem CID70287421
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide
SMILESCOCCCC1CCN(CCNC(C)=O)CC1
InChIInChI=1S/C13H26N2O2/c1-12(16)14-7-10-15-8-5-13(6-9-15)4-3-11-17-2/h13H,3-11H2,1-2H3,(H,14,16)
InChIKeyLIWBVGGCZHHURQ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide (CID 70287421) is N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide is COCCCC1CCN(CCNC(C)=O)CC1.
What is the InChIKey of N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is LIWBVGGCZHHURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(16)14-7-10-15-8-5-13(6-9-15)4-3-11-17-2/h13H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide?
N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70287421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).