(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide

C18H28N2O3 — CID 124861385

IUPAC(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
SMILESCC[C@H](C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1)[C@@H](C)O
InChIInChI=1S/C18H28N2O3/c1-4-17(13(2)21)18(22)19-14-7-6-10-20(12-14)15-8-5-9-16(11-15)23-3/h5,8-9,11,13-14,17,21H,4,6-7,10,12H2,1-3H3,(H,19,22)/t13-,14-,17+/m1/s1
InChIKeyHPJJCJUQMROBMF-CPUCHLNUSA-N
MW320.43 g/mol
LogP2.19
Rot. Bonds6

About (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide

(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide (PubChem CID 124861385) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
PubChem CID124861385
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
SMILESCC[C@H](C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1)[C@@H](C)O
InChIInChI=1S/C18H28N2O3/c1-4-17(13(2)21)18(22)19-14-7-6-10-20(12-14)15-8-5-9-16(11-15)23-3/h5,8-9,11,13-14,17,21H,4,6-7,10,12H2,1-3H3,(H,19,22)/t13-,14-,17+/m1/s1
InChIKeyHPJJCJUQMROBMF-CPUCHLNUSA-N
XLogP2.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide with MolForge

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Related Compounds

2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
N-[2-[[ethylamino-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111994847
1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
CID 136526374
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
CID 120800414
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884221
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
CID 119884229

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide?
The IUPAC name of (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide (CID 124861385) is (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide.
What is the SMILES notation for (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide?
The canonical SMILES for (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide is CC[C@H](C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide?
The InChIKey is HPJJCJUQMROBMF-CPUCHLNUSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-17(13(2)21)18(22)19-14-7-6-10-20(12-14)15-8-5-9-16(11-15)23-3/h5,8-9,11,13-14,17,21H,4,6-7,10,12H2,1-3H3,(H,19,22)/t13-,14-,17+/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide?
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide has a molecular weight of 320.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 124861385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).