N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide

C16H27N3OS — CID 171700798

IUPACN,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide
SMILESCN(CC1CCN(Cc2cncs2)CC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H27N3OS/c1-16(2,3)15(20)18(4)10-13-5-7-19(8-6-13)11-14-9-17-12-21-14/h9,12-13H,5-8,10-11H2,1-4H3
InChIKeyQBRPDBMYOHHCQE-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.86
Rot. Bonds4

About N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide

N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 171700798) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide
PubChem CID171700798
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide
SMILESCN(CC1CCN(Cc2cncs2)CC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H27N3OS/c1-16(2,3)15(20)18(4)10-13-5-7-19(8-6-13)11-14-9-17-12-21-14/h9,12-13H,5-8,10-11H2,1-4H3
InChIKeyQBRPDBMYOHHCQE-UHFFFAOYSA-N
XLogP2.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163348150
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide
CID 166339786
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 115979097
N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
CID 165431469
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
(7S)-7-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-thiazepane 1,1-dioxide
CID 129401951

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide (CID 171700798) is N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide is CN(CC1CCN(Cc2cncs2)CC1)C(=O)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is QBRPDBMYOHHCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-16(2,3)15(20)18(4)10-13-5-7-19(8-6-13)11-14-9-17-12-21-14/h9,12-13H,5-8,10-11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide?
N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 309.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 171700798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).