methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate

C14H20N2O4S — CID 50969069

IUPACmethyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate
SMILESCCCc1nc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)OC)cs1
InChIInChI=1S/C14H20N2O4S/c1-3-4-12-15-10(8-21-12)13(18)16-6-5-9(17)7-11(16)14(19)20-2/h8-9,11,17H,3-7H2,1-2H3/t9-,11+/m0/s1
InChIKeyOIXUNCDNLMTLBP-GXSJLCMTSA-N
MW312.39 g/mol
LogP1.23
Rot. Bonds4

About methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate

methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate (PubChem CID 50969069) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate
PubChem CID50969069
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate
SMILESCCCc1nc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)OC)cs1
InChIInChI=1S/C14H20N2O4S/c1-3-4-12-15-10(8-21-12)13(18)16-6-5-9(17)7-11(16)14(19)20-2/h8-9,11,17H,3-7H2,1-2H3/t9-,11+/m0/s1
InChIKeyOIXUNCDNLMTLBP-GXSJLCMTSA-N
XLogP1.23
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
[2-(3-methoxyphenyl)azetidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 74243587
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 43623809
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 66390645
methyl 5-(2-propyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50980331
methyl (2S,4R)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 133127407
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085
methyl (2R,4S)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 50979069
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 136582996

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate (CID 50969069) is methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate is CCCc1nc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)OC)cs1.
What is the InChIKey of methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate?
The InChIKey is OIXUNCDNLMTLBP-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-4-12-15-10(8-21-12)13(18)16-6-5-9(17)7-11(16)14(19)20-2/h8-9,11,17H,3-7H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate?
methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 50969069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).