N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide

C16H25N3O3S — CID 164636447

IUPACN-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide
SMILESCc1nc(CN2CC[C@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cs1
InChIInChI=1S/C16H25N3O3S/c1-11-17-13(10-23-11)8-19-5-2-14(15(20)9-19)18-16(21)12-3-6-22-7-4-12/h10,12,14-15,20H,2-9H2,1H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyNHNRRSJPUODFRR-GJZGRUSLSA-N
MW339.46 g/mol
LogP0.93
Rot. Bonds4

About N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide

N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide (PubChem CID 164636447) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide
PubChem CID164636447
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide
SMILESCc1nc(CN2CC[C@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cs1
InChIInChI=1S/C16H25N3O3S/c1-11-17-13(10-23-11)8-19-5-2-14(15(20)9-19)18-16(21)12-3-6-22-7-4-12/h10,12,14-15,20H,2-9H2,1H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyNHNRRSJPUODFRR-GJZGRUSLSA-N
XLogP0.93
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide (CID 164636447) is N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide is Cc1nc(CN2CC[C@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cs1.
What is the InChIKey of N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide?
The InChIKey is NHNRRSJPUODFRR-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-17-13(10-23-11)8-19-5-2-14(15(20)9-19)18-16(21)12-3-6-22-7-4-12/h10,12,14-15,20H,2-9H2,1H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide?
N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 164636447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).