3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide

C13H26N2O2 — CID 56794734

IUPAC3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-8-14-13(17)15-9-5-6-12(11-15)7-10-16/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeySEIDXPDOMQTELY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.98
Rot. Bonds6

About 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide

3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide (PubChem CID 56794734) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
PubChem CID56794734
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-8-14-13(17)15-9-5-6-12(11-15)7-10-16/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeySEIDXPDOMQTELY-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide (CID 56794734) is 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide is CCCCCNC(=O)N1CCCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide?
The InChIKey is SEIDXPDOMQTELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-4-8-14-13(17)15-9-5-6-12(11-15)7-10-16/h12,16H,2-11H2,1H3,(H,14,17).
What are the key properties of 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide?
3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide is sourced from PubChem (CID 56794734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).