N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

C20H27N3OS — CID 46992210

IUPACN-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCN1CCCCC1CCC(=O)N(Cc1ccccc1)Cc1nccs1
InChIInChI=1S/C20H27N3OS/c1-22-13-6-5-9-18(22)10-11-20(24)23(16-19-21-12-14-25-19)15-17-7-3-2-4-8-17/h2-4,7-8,12,14,18H,5-6,9-11,13,15-16H2,1H3
InChIKeyNUWBSYGKEPTOIL-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.94
Rot. Bonds7

About N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 46992210) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID46992210
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCN1CCCCC1CCC(=O)N(Cc1ccccc1)Cc1nccs1
InChIInChI=1S/C20H27N3OS/c1-22-13-6-5-9-18(22)10-11-20(24)23(16-19-21-12-14-25-19)15-17-7-3-2-4-8-17/h2-4,7-8,12,14,18H,5-6,9-11,13,15-16H2,1H3
InChIKeyNUWBSYGKEPTOIL-UHFFFAOYSA-N
XLogP3.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 97197758
N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 68668977
N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 50960994
N-cyclopentyl-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 158834559
N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 42780816
1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125436994
N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 50956753
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]-1,3-thiazole
CID 164631730
1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 122558093
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 119059665
3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
CID 97200599
N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77094415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 46992210) is N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide is CN1CCCCC1CCC(=O)N(Cc1ccccc1)Cc1nccs1.
What is the InChIKey of N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is NUWBSYGKEPTOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22-13-6-5-9-18(22)10-11-20(24)23(16-19-21-12-14-25-19)15-17-7-3-2-4-8-17/h2-4,7-8,12,14,18H,5-6,9-11,13,15-16H2,1H3.
What are the key properties of N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide?
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 357.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 46992210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).