2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide

C13H22N4O2 — CID 91777804

IUPAC2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
SMILESO=C(CN1CCCC(O)C1)NCCCc1ncc[nH]1
InChIInChI=1S/C13H22N4O2/c18-11-3-2-8-17(9-11)10-13(19)16-5-1-4-12-14-6-7-15-12/h6-7,11,18H,1-5,8-10H2,(H,14,15)(H,16,19)
InChIKeyAURZBRSAYHMNHX-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.08
Rot. Bonds6

About 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide

2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide (PubChem CID 91777804) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
PubChem CID91777804
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
SMILESO=C(CN1CCCC(O)C1)NCCCc1ncc[nH]1
InChIInChI=1S/C13H22N4O2/c18-11-3-2-8-17(9-11)10-13(19)16-5-1-4-12-14-6-7-15-12/h6-7,11,18H,1-5,8-10H2,(H,14,15)(H,16,19)
InChIKeyAURZBRSAYHMNHX-UHFFFAOYSA-N
XLogP-0.08
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide (CID 91777804) is 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide is O=C(CN1CCCC(O)C1)NCCCc1ncc[nH]1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide?
The InChIKey is AURZBRSAYHMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-11-3-2-8-17(9-11)10-13(19)16-5-1-4-12-14-6-7-15-12/h6-7,11,18H,1-5,8-10H2,(H,14,15)(H,16,19).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide?
2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 91777804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).