N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide

C13H26N2O2 — CID 112541751

IUPACN-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1CC(CCCO)CN(C(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-8-12(5-4-6-16)7-13(9-15)14-11(3)17/h10,12-13,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyDFACVDHMFDETPA-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds5

About N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide

N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide (PubChem CID 112541751) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
PubChem CID112541751
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1CC(CCCO)CN(C(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-8-12(5-4-6-16)7-13(9-15)14-11(3)17/h10,12-13,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyDFACVDHMFDETPA-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide (CID 112541751) is N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide is CC(=O)NC1CC(CCCO)CN(C(C)C)C1.
What is the InChIKey of N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide?
The InChIKey is DFACVDHMFDETPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15-8-12(5-4-6-16)7-13(9-15)14-11(3)17/h10,12-13,16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide?
N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide has a molecular weight of 242.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 112541751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).