(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide

C18H28N2O5 — CID 90044322

IUPAC(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide
SMILESCCN(CCCc1ccccc1)C(=O)[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H28N2O5/c1-2-20(10-6-9-12-7-4-3-5-8-12)18(25)14-16(23)17(24)15(22)13(11-21)19-14/h3-5,7-8,13-17,19,21-24H,2,6,9-11H2,1H3/t13-,14+,15-,16-,17+/m1/s1
InChIKeyNJJKEJZHFAJTBP-JJTUDDRGSA-N
MW352.43 g/mol
LogP-1.12
Rot. Bonds7

About (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide

(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide (PubChem CID 90044322) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide
PubChem CID90044322
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide
SMILESCCN(CCCc1ccccc1)C(=O)[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H28N2O5/c1-2-20(10-6-9-12-7-4-3-5-8-12)18(25)14-16(23)17(24)15(22)13(11-21)19-14/h3-5,7-8,13-17,19,21-24H,2,6,9-11H2,1H3/t13-,14+,15-,16-,17+/m1/s1
InChIKeyNJJKEJZHFAJTBP-JJTUDDRGSA-N
XLogP-1.12
TPSA113.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 5-1.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide with MolForge

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Related Compounds

(2S,3R,4R,5R,6S)-6-(difluoromethyl)-N-ethyl-3,4,5-trihydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 90044303
(2S,3R,4S,5R,6S)-6-(difluoromethyl)-N-ethyl-4-fluoro-3,5-dihydroxy-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 90044789
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
CID 120926011
(2R,3S,4R,5R,6R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidine-3,4,5-triol
CID 161473437
1,3-diethyl-1-(4-phenylbutyl)urea
CID 138979891
N-ethyl-N-(3-phenylpropyl)hydroxylamine
CID 146633464
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 91838187
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide?
The IUPAC name of (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide (CID 90044322) is (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide?
The canonical SMILES for (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide is CCN(CCCc1ccccc1)C(=O)[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide?
The InChIKey is NJJKEJZHFAJTBP-JJTUDDRGSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-2-20(10-6-9-12-7-4-3-5-8-12)18(25)14-16(23)17(24)15(22)13(11-21)19-14/h3-5,7-8,13-17,19,21-24H,2,6,9-11H2,1H3/t13-,14+,15-,16-,17+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide?
(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of -1.12, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 90044322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).