N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide

C13H26N2O2 — CID 167519959

IUPACN-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide
SMILESCC(=O)NCCCN1CCC(OC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)17-13-5-9-15(10-6-13)8-4-7-14-12(3)16/h11,13H,4-10H2,1-3H3,(H,14,16)
InChIKeyRRJUEJMCAGUPFM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide

N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide (PubChem CID 167519959) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide
PubChem CID167519959
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide
SMILESCC(=O)NCCCN1CCC(OC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)17-13-5-9-15(10-6-13)8-4-7-14-12(3)16/h11,13H,4-10H2,1-3H3,(H,14,16)
InChIKeyRRJUEJMCAGUPFM-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
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-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide (CID 167519959) is N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide is CC(=O)NCCCN1CCC(OC(C)C)CC1.
What is the InChIKey of N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide?
The InChIKey is RRJUEJMCAGUPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)17-13-5-9-15(10-6-13)8-4-7-14-12(3)16/h11,13H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide?
N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propan-2-yloxypiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 167519959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).