[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone

C18H29N3O4S — CID 155494537

IUPAC[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
SMILESCCC[C@@]1(CO)CN(C(=O)c2sc(N3CCOCC3)nc2C)CC[C@H]1O
InChIInChI=1S/C18H29N3O4S/c1-3-5-18(12-22)11-21(6-4-14(18)23)16(24)15-13(2)19-17(26-15)20-7-9-25-10-8-20/h14,22-23H,3-12H2,1-2H3/t14-,18+/m1/s1
InChIKeyXYLOIFNCDIZHRY-KDOFPFPSSA-N
MW383.51 g/mol
LogP1.27
Rot. Bonds5

About [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone

[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone (PubChem CID 155494537) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
PubChem CID155494537
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
SMILESCCC[C@@]1(CO)CN(C(=O)c2sc(N3CCOCC3)nc2C)CC[C@H]1O
InChIInChI=1S/C18H29N3O4S/c1-3-5-18(12-22)11-21(6-4-14(18)23)16(24)15-13(2)19-17(26-15)20-7-9-25-10-8-20/h14,22-23H,3-12H2,1-2H3/t14-,18+/m1/s1
InChIKeyXYLOIFNCDIZHRY-KDOFPFPSSA-N
XLogP1.27
TPSA86.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155504830
(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
CID 155492369
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
CID 155505815
1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile
CID 155491481
(3-fluoro-5-methylphenyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155499155
4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 157011581
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 155496131
3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 155918250
(5-chloro-3-pyridinyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155495563
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
CID 155502249
N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 154568714
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
CID 20889810

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone (CID 155494537) is [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone is CCC[C@@]1(CO)CN(C(=O)c2sc(N3CCOCC3)nc2C)CC[C@H]1O.
What is the InChIKey of [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is XYLOIFNCDIZHRY-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-3-5-18(12-22)11-21(6-4-14(18)23)16(24)15-13(2)19-17(26-15)20-7-9-25-10-8-20/h14,22-23H,3-12H2,1-2H3/t14-,18+/m1/s1.
What are the key properties of [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone?
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 383.51 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 155494537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).