2-azido-1-(3-hydroxypiperidin-1-yl)ethanone

C7H12N4O2 — CID 121201262

IUPAC2-azido-1-(3-hydroxypiperidin-1-yl)ethanone
SMILES[N-]=[N+]=NCC(=O)N1CCCC(O)C1
InChIInChI=1S/C7H12N4O2/c8-10-9-4-7(13)11-3-1-2-6(12)5-11/h6,12H,1-5H2
InChIKeyDKPCDAHGEOJTIN-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.28
Rot. Bonds2

About 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone

2-azido-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 121201262) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-azido-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID121201262
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-azido-1-(3-hydroxypiperidin-1-yl)ethanone
SMILES[N-]=[N+]=NCC(=O)N1CCCC(O)C1
InChIInChI=1S/C7H12N4O2/c8-10-9-4-7(13)11-3-1-2-6(12)5-11/h6,12H,1-5H2
InChIKeyDKPCDAHGEOJTIN-UHFFFAOYSA-N
XLogP0.28
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]ethanone
CID 129497274
2-azido-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 129498132
3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 62232255
1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
CID 107224564
1-(3-hydroxypiperidin-1-yl)but-3-en-1-one
CID 62677982
1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864
1-(2-azidoacetyl)piperidine-4-carbohydrazide
CID 115465829
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone (CID 121201262) is 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone is [N-]=[N+]=NCC(=O)N1CCCC(O)C1.
What is the InChIKey of 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is DKPCDAHGEOJTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-10-9-4-7(13)11-3-1-2-6(12)5-11/h6,12H,1-5H2.
What are the key properties of 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone?
2-azido-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 184.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 121201262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).