2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide

C20H27N3OS — CID 99943673

IUPAC2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(CN(Cc2ccccn2)C(=O)C[C@H]2CCCCN2C)s1
InChIInChI=1S/C20H27N3OS/c1-16-9-10-19(25-16)15-23(14-17-7-3-5-11-21-17)20(24)13-18-8-4-6-12-22(18)2/h3,5,7,9-11,18H,4,6,8,12-15H2,1-2H3/t18-/m1/s1
InChIKeySTBXXSABSHGSBC-GOSISDBHSA-N
MW357.52 g/mol
LogP3.85
Rot. Bonds6

About 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide

2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 99943673) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID99943673
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(CN(Cc2ccccn2)C(=O)C[C@H]2CCCCN2C)s1
InChIInChI=1S/C20H27N3OS/c1-16-9-10-19(25-16)15-23(14-17-7-3-5-11-21-17)20(24)13-18-8-4-6-12-22(18)2/h3,5,7,9-11,18H,4,6,8,12-15H2,1-2H3/t18-/m1/s1
InChIKeySTBXXSABSHGSBC-GOSISDBHSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Related Compounds

3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 72865765
2-(1-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 131926484
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 131922742
(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
CID 97205508
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-(1-methylpiperidin-2-yl)acetamide
CID 50973228
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
(3aR,6aS)-4-[(5-methylthiophen-2-yl)methyl]-1-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459267
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17431599
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 3550136

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide (CID 99943673) is 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(CN(Cc2ccccn2)C(=O)C[C@H]2CCCCN2C)s1.
What is the InChIKey of 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is STBXXSABSHGSBC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-16-9-10-19(25-16)15-23(14-17-7-3-5-11-21-17)20(24)13-18-8-4-6-12-22(18)2/h3,5,7,9-11,18H,4,6,8,12-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 357.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 99943673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).