N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

C15H29N5O4 — CID 50997774

IUPACN-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CN(CCCCCCCN=[N+]=[N-])C(CO)C(O)C1O
InChIInChI=1S/C15H29N5O4/c1-11(22)18-12-9-20(13(10-21)15(24)14(12)23)8-6-4-2-3-5-7-17-19-16/h12-15,21,23-24H,2-10H2,1H3,(H,18,22)
InChIKeyHDKUFTOXGUSYEP-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.15
Rot. Bonds10

About N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (PubChem CID 50997774) has the molecular formula C15H29N5O4 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
PubChem CID50997774
Molecular FormulaC15H29N5O4
Molecular Weight343.43 g/mol
Exact Mass343.22
IUPAC NameN-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CN(CCCCCCCN=[N+]=[N-])C(CO)C(O)C1O
InChIInChI=1S/C15H29N5O4/c1-11(22)18-12-9-20(13(10-21)15(24)14(12)23)8-6-4-2-3-5-7-17-19-16/h12-15,21,23-24H,2-10H2,1H3,(H,18,22)
InChIKeyHDKUFTOXGUSYEP-UHFFFAOYSA-N
XLogP0.15
TPSA141.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

beta-D-erythro-Hexopyranos-2-ulose, 1,6-anhydro-3-deoxy-4-O-(phenylmethyl)-, dimethyl acetal
CID 439454
2-Acetamido-1,5-imino-1,2,5-trideoxy-D-glucitol
CID 122617
6-Acetamido-6-Deoxy-Castanospermine
CID 9837515
N-(((2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methylpiperidin-2-yl)methyl)acetamide
CID 10889373
Iminocyclitol, 6
CID 22073436
Acetamidodeoxynojirimycin
CID 10443438
2-Acetamido-1,2-dideoxynojirimycin Hydrochloride
CID 57384041
1-N-acetyl-2-acetamido-beta-glucopyranosylamine
CID 165420
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 452004
N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, 2
CID 50997770
N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
CID 897
N-((3R,4R)-3,4,5-Trihydroxy-piperidin-2-ylmethyl)-acetamide
CID 44319624

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (CID 50997774) is N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is CC(=O)NC1CN(CCCCCCCN=[N+]=[N-])C(CO)C(O)C1O.
What is the InChIKey of N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The InChIKey is HDKUFTOXGUSYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O4/c1-11(22)18-12-9-20(13(10-21)15(24)14(12)23)8-6-4-2-3-5-7-17-19-16/h12-15,21,23-24H,2-10H2,1H3,(H,18,22).
What are the key properties of N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 0.15, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 50997774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).