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

C15H31N3O4 — CID 50997770

IUPACN-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CN(CCCCCCCN)C(CO)C(O)C1O
InChIInChI=1S/C15H31N3O4/c1-11(20)17-12-9-18(8-6-4-2-3-5-7-16)13(10-19)15(22)14(12)21/h12-15,19,21-22H,2-10,16H2,1H3,(H,17,20)
InChIKeyQWZPVJYIJZQINK-UHFFFAOYSA-N
MW317.43 g/mol
LogP-1.20
Rot. Bonds9

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

N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (PubChem CID 50997770) has the molecular formula C15H31N3O4 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
PubChem CID50997770
Molecular FormulaC15H31N3O4
Molecular Weight317.43 g/mol
Exact Mass317.23
IUPAC NameN-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CN(CCCCCCCN)C(CO)C(O)C1O
InChIInChI=1S/C15H31N3O4/c1-11(20)17-12-9-18(8-6-4-2-3-5-7-16)13(10-19)15(22)14(12)21/h12-15,19,21-22H,2-10,16H2,1H3,(H,17,20)
InChIKeyQWZPVJYIJZQINK-UHFFFAOYSA-N
XLogP-1.20
TPSA119.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
N-[(3r,4s,5r,6r,7r)-3,5,6-Trihydroxy-7-(Hydroxymethyl)azepan-4-Yl]acetamide
CID 25220908
N-[(3s,4r,5r,6s)-4,5,6-Trihydroxyazepan-3-Yl]acetamide
CID 42632559
Iminocyclitol, 6
CID 22073436
Acetamidodeoxynojirimycin
CID 10443438
2-Acetamido-1,2-dideoxynojirimycin Hydrochloride
CID 57384041
1-N-acetyl-2-acetamido-beta-glucopyranosylamine
CID 165420
2-Deoxy-2-acetamido-mannitol
CID 449222
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 452004

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (CID 50997770) is N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is CC(=O)NC1CN(CCCCCCCN)C(CO)C(O)C1O.
What is the InChIKey of N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The InChIKey is QWZPVJYIJZQINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O4/c1-11(20)17-12-9-18(8-6-4-2-3-5-7-16)13(10-19)15(22)14(12)21/h12-15,19,21-22H,2-10,16H2,1H3,(H,17,20).
What are the key properties of N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide has a molecular weight of 317.43 g/mol, XLogP of -1.20, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 50997770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).