[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C14H22N4O2S — CID 163311834

IUPAC[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCN1CC[C@H](O)[C@H](C(=O)N2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C14H22N4O2S/c1-16-4-2-12(19)11(10-16)13(20)17-5-7-18(8-6-17)14-15-3-9-21-14/h3,9,11-12,19H,2,4-8,10H2,1H3/t11-,12+/m1/s1
InChIKeyUMCBWVJJRMLUMH-NEPJUHHUSA-N
MW310.42 g/mol
LogP0.10
Rot. Bonds2

About [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 163311834) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID163311834
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCN1CC[C@H](O)[C@H](C(=O)N2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C14H22N4O2S/c1-16-4-2-12(19)11(10-16)13(20)17-5-7-18(8-6-17)14-15-3-9-21-14/h3,9,11-12,19H,2,4-8,10H2,1H3/t11-,12+/m1/s1
InChIKeyUMCBWVJJRMLUMH-NEPJUHHUSA-N
XLogP0.10
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 79382749
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94551535
1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 95590974
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
[(1R,2S,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 124800490
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950
methyl 4-[4-[(3R,4R)-4-hydroxy-1-methylpiperidine-3-carbonyl]piperazin-1-yl]benzoate
CID 157014897

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 163311834) is [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CN1CC[C@H](O)[C@H](C(=O)N2CCN(c3nccs3)CC2)C1.
What is the InChIKey of [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is UMCBWVJJRMLUMH-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-16-4-2-12(19)11(10-16)13(20)17-5-7-18(8-6-17)14-15-3-9-21-14/h3,9,11-12,19H,2,4-8,10H2,1H3/t11-,12+/m1/s1.
What are the key properties of [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 310.42 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 163311834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).