N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide

C17H25N3O2S — CID 97211358

IUPACN-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)C3=COCCC3)n2)C1
InChIInChI=1S/C17H25N3O2S/c1-12-6-13(2)8-20(7-12)9-15-11-23-17(18-15)19-16(21)14-4-3-5-22-10-14/h10-13H,3-9H2,1-2H3,(H,18,19,21)/t12-,13-/m1/s1
InChIKeyZKYXDXZZKKBUTQ-CHWSQXEVSA-N
MW335.47 g/mol
LogP3.25
Rot. Bonds4

About N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 97211358) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID97211358
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)C3=COCCC3)n2)C1
InChIInChI=1S/C17H25N3O2S/c1-12-6-13(2)8-20(7-12)9-15-11-23-17(18-15)19-16(21)14-4-3-5-22-10-14/h10-13H,3-9H2,1-2H3,(H,18,19,21)/t12-,13-/m1/s1
InChIKeyZKYXDXZZKKBUTQ-CHWSQXEVSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 124737179
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188973
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188976
5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30189317
5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 43041573
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 46699117
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30189111
N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 25474469
N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 30193218
N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43050113
4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24611202

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 97211358) is N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide is C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)C3=COCCC3)n2)C1.
What is the InChIKey of N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is ZKYXDXZZKKBUTQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-6-13(2)8-20(7-12)9-15-11-23-17(18-15)19-16(21)14-4-3-5-22-10-14/h10-13H,3-9H2,1-2H3,(H,18,19,21)/t12-,13-/m1/s1.
What are the key properties of N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 97211358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).