(2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide

C19H38N2O2 — CID 155525833

IUPAC(2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide
SMILESCCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCCO)C1
InChIInChI=1S/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-20-18(16-17)19(23)21-14-15-22/h17-18,20,22H,2-16H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyLLTYQOXTLMMILK-MSOLQXFVSA-N
MW326.53 g/mol
LogP3.38
Rot. Bonds13

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

(2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide (PubChem CID 155525833) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide
PubChem CID155525833
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name(2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide
SMILESCCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCCO)C1
InChIInChI=1S/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-20-18(16-17)19(23)21-14-15-22/h17-18,20,22H,2-16H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyLLTYQOXTLMMILK-MSOLQXFVSA-N
XLogP3.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 71575525
CID 71575525
11-amino-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]undecanamide
CID 462474
11-amino-N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]undecanamide
CID 462476
11-amino-N-[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]undecanamide
CID 469470
11-amino-N-[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-amino-1-cyclohexyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]undecanamide
CID 469471
(2S)-1-butanoyl-N-[(2S)-3-cyclohexyl-1-[[1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[3-[[(2S)-1-(2-hydroxyethylamino)propan-2-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 156016330
(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-[[3-[[(2S)-1-(2-hydroxyethylamino)propan-2-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]decanamide
CID 156020721
N-[(2S)-3-hydroxy-1-oxo-1-(tetradecylamino)propan-2-yl]cyclohexanecarboxamide
CID 44254065
Ac-Ser-Ala-Val-Leu-Cha-al
CID 56849696
N-(10-Aminodecanoyl)-L-Seryl-N-(2-Cyclohexylethyl)-L-Lysinamide
CID 78333407
11-amino-N-[(2S)-1-[[(2S)-6-amino-1-(3-cyclohexylpropylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]undecanamide
CID 469494
4-ethyl-N-(3-methyl-1-{[2-(morpholin-4-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3390135

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide (CID 155525833) is (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide is CCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCCO)C1.
What is the InChIKey of (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide?
The InChIKey is LLTYQOXTLMMILK-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-20-18(16-17)19(23)21-14-15-22/h17-18,20,22H,2-16H2,1H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide?
(2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide has a molecular weight of 326.53 g/mol, XLogP of 3.38, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide is sourced from PubChem (CID 155525833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).