(5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one

C18H30N4OS — CID 167834988

IUPAC(5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one
SMILESCc1csc(N2CCC(N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)CC2)n1
InChIInChI=1S/C18H30N4OS/c1-12-11-24-17(19-12)22-9-7-13(8-10-22)20-14-5-6-15(23)21-16(14)18(2,3)4/h11,13-14,16,20H,5-10H2,1-4H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyDSHQKPAKRBYAEM-GDBMZVCRSA-N
MW350.53 g/mol
LogP2.70
Rot. Bonds3

About (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one

(5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one (PubChem CID 167834988) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one
PubChem CID167834988
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name(5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one
SMILESCc1csc(N2CCC(N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)CC2)n1
InChIInChI=1S/C18H30N4OS/c1-12-11-24-17(19-12)22-9-7-13(8-10-22)20-14-5-6-15(23)21-16(14)18(2,3)4/h11,13-14,16,20H,5-10H2,1-4H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyDSHQKPAKRBYAEM-GDBMZVCRSA-N
XLogP2.70
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one with MolForge

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 115300939
(5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one
CID 126803078
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663442
1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanol
CID 106837283
2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 154758907
4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
CID 62480503
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862625
(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 94168138
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 86848972

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one (CID 167834988) is (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one is Cc1csc(N2CCC(N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)CC2)n1.
What is the InChIKey of (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one?
The InChIKey is DSHQKPAKRBYAEM-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-12-11-24-17(19-12)22-9-7-13(8-10-22)20-14-5-6-15(23)21-16(14)18(2,3)4/h11,13-14,16,20H,5-10H2,1-4H3,(H,21,23)/t14-,16-/m1/s1.
What are the key properties of (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one?
(5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one has a molecular weight of 350.53 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-tert-butyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 167834988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).