(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one

C15H22N4O2S — CID 94168138

IUPAC(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCc1csc(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)n1
InChIInChI=1S/C15H22N4O2S/c1-11-10-22-15(16-11)19-7-5-18(6-8-19)14(21)12-3-4-17(2)13(20)9-12/h10,12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyPJJCEFJABDHCIG-GFCCVEGCSA-N
MW322.43 g/mol
LogP0.97
Rot. Bonds2

About (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one

(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 94168138) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID94168138
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCc1csc(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)n1
InChIInChI=1S/C15H22N4O2S/c1-11-10-22-15(16-11)19-7-5-18(6-8-19)14(21)12-3-4-17(2)13(20)9-12/h10,12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyPJJCEFJABDHCIG-GFCCVEGCSA-N
XLogP0.97
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
CID 97339533
[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168144
1-methyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 56812611
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110741651
(4R)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 94525523
4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 136549408
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119851684
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 86848972
(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one (CID 94168138) is (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one is Cc1csc(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)n1.
What is the InChIKey of (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is PJJCEFJABDHCIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-10-22-15(16-11)19-7-5-18(6-8-19)14(21)12-3-4-17(2)13(20)9-12/h10,12H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one?
(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 322.43 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 94168138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).