N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide

C16H32N2O3 — CID 67341601

IUPACN-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide
SMILESCCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C1
InChIInChI=1S/C16H32N2O3/c1-3-4-5-6-7-8-9-10-18-11-14(17-13(2)19)16(21)15(20)12-18/h14-16,20-21H,3-12H2,1-2H3,(H,17,19)/t14-,15+,16+/m0/s1
InChIKeyPFEVAPFQBRAWLQ-ARFHVFGLSA-N
MW300.44 g/mol
LogP1.28
Rot. Bonds9

About N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide

N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide (PubChem CID 67341601) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide
PubChem CID67341601
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC NameN-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide
SMILESCCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C1
InChIInChI=1S/C16H32N2O3/c1-3-4-5-6-7-8-9-10-18-11-14(17-13(2)19)16(21)15(20)12-18/h14-16,20-21H,3-12H2,1-2H3,(H,17,19)/t14-,15+,16+/m0/s1
InChIKeyPFEVAPFQBRAWLQ-ARFHVFGLSA-N
XLogP1.28
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.28
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 N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide (CID 67341601) is N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide is CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C1.
What is the InChIKey of N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide?
The InChIKey is PFEVAPFQBRAWLQ-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-3-4-5-6-7-8-9-10-18-11-14(17-13(2)19)16(21)15(20)12-18/h14-16,20-21H,3-12H2,1-2H3,(H,17,19)/t14-,15+,16+/m0/s1.
What are the key properties of N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide?
N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide has a molecular weight of 300.44 g/mol, XLogP of 1.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide is sourced from PubChem (CID 67341601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).