(2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide

C20H40N2O3 — CID 71575525

IUPAC(2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide
SMILESCCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCC(O)CO)C1
InChIInChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-21-19(14-17)20(25)22-15-18(24)16-23/h17-19,21,23-24H,2-16H2,1H3,(H,22,25)/t17-,18?,19+/m1/s1
InChIKeyRQTUFYCDUWSKKX-KGNCLDLBSA-N
MW356.55 g/mol
LogP2.74
Rot. Bonds14

About (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide

(2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide (PubChem CID 71575525) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide
PubChem CID71575525
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC Name(2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide
SMILESCCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCC(O)CO)C1
InChIInChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-21-19(14-17)20(25)22-15-18(24)16-23/h17-19,21,23-24H,2-16H2,1H3,(H,22,25)/t17-,18?,19+/m1/s1
InChIKeyRQTUFYCDUWSKKX-KGNCLDLBSA-N
XLogP2.74
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 52.74
H-Bond Donors ≤ 54
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 (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide (CID 71575525) is (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide is CCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCC(O)CO)C1.
What is the InChIKey of (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide?
The InChIKey is RQTUFYCDUWSKKX-KGNCLDLBSA-N. The full InChI is InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-21-19(14-17)20(25)22-15-18(24)16-23/h17-19,21,23-24H,2-16H2,1H3,(H,22,25)/t17-,18?,19+/m1/s1.
What are the key properties of (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide?
(2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide has a molecular weight of 356.55 g/mol, XLogP of 2.74, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(2,3-dihydroxypropyl)-4-undecylpiperidine-2-carboxamide is sourced from PubChem (CID 71575525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).