3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide

C21H29N3OS — CID 72865765

IUPAC3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(CN(Cc2ccccn2)C(=O)CCC2CCCN(C)C2)s1
InChIInChI=1S/C21H29N3OS/c1-17-8-10-20(26-17)16-24(15-19-7-3-4-12-22-19)21(25)11-9-18-6-5-13-23(2)14-18/h3-4,7-8,10,12,18H,5-6,9,11,13-16H2,1-2H3
InChIKeyNHEXIWJTIKTJIO-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.10
Rot. Bonds7

About 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide

3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 72865765) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID72865765
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(CN(Cc2ccccn2)C(=O)CCC2CCCN(C)C2)s1
InChIInChI=1S/C21H29N3OS/c1-17-8-10-20(26-17)16-24(15-19-7-3-4-12-22-19)21(25)11-9-18-6-5-13-23(2)14-18/h3-4,7-8,10,12,18H,5-6,9,11,13-16H2,1-2H3
InChIKeyNHEXIWJTIKTJIO-UHFFFAOYSA-N
XLogP4.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-methylpiperidin-2-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 99943673
1-(2-methoxyethyl)-3-[(3R)-1-methylpiperidin-3-yl]-1-[(5-methylthiophen-2-yl)methyl]urea
CID 125436200
N-methyl-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45178210
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 99928643
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 97208737
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide
CID 26410200
3-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 26401309
N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97282681
N-methyl-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 25289755
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17431599
N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124975661

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide (CID 72865765) is 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc(CN(Cc2ccccn2)C(=O)CCC2CCCN(C)C2)s1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is NHEXIWJTIKTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-17-8-10-20(26-17)16-24(15-19-7-3-4-12-22-19)21(25)11-9-18-6-5-13-23(2)14-18/h3-4,7-8,10,12,18H,5-6,9,11,13-16H2,1-2H3.
What are the key properties of 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide?
3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 371.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 72865765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).