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

C13H21N3OS — CID 63836900

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
SMILESCc1ncsc1CN(C)C(=O)CC1CCCNC1
InChIInChI=1S/C13H21N3OS/c1-10-12(18-9-15-10)8-16(2)13(17)6-11-4-3-5-14-7-11/h9,11,14H,3-8H2,1-2H3
InChIKeyDVZZAVGIJADQBL-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.80
Rot. Bonds4

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

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide (PubChem CID 63836900) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
PubChem CID63836900
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
SMILESCc1ncsc1CN(C)C(=O)CC1CCCNC1
InChIInChI=1S/C13H21N3OS/c1-10-12(18-9-15-10)8-16(2)13(17)6-11-4-3-5-14-7-11/h9,11,14H,3-8H2,1-2H3
InChIKeyDVZZAVGIJADQBL-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 64610217
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine
CID 63836858
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
(2R)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124557647
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
N-methyl-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62690193
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129336128

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide (CID 63836900) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide is Cc1ncsc1CN(C)C(=O)CC1CCCNC1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide?
The InChIKey is DVZZAVGIJADQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-12(18-9-15-10)8-16(2)13(17)6-11-4-3-5-14-7-11/h9,11,14H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide has a molecular weight of 267.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 63836900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).