N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide

C16H28N4OS — CID 26412149

IUPACN-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCN(C)CCNC(=O)CCC1CCN(Cc2nccs2)CC1
InChIInChI=1S/C16H28N4OS/c1-19(2)11-7-17-15(21)4-3-14-5-9-20(10-6-14)13-16-18-8-12-22-16/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,17,21)
InChIKeyYDEIUWMYCVUCGZ-UHFFFAOYSA-N
MW324.49 g/mol
LogP1.81
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 26412149) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID26412149
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCN(C)CCNC(=O)CCC1CCN(Cc2nccs2)CC1
InChIInChI=1S/C16H28N4OS/c1-19(2)11-7-17-15(21)4-3-14-5-9-20(10-6-14)13-16-18-8-12-22-16/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,17,21)
InChIKeyYDEIUWMYCVUCGZ-UHFFFAOYSA-N
XLogP1.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide (CID 26412149) is N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide is CN(C)CCNC(=O)CCC1CCN(Cc2nccs2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is YDEIUWMYCVUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-19(2)11-7-17-15(21)4-3-14-5-9-20(10-6-14)13-16-18-8-12-22-16/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 324.49 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 26412149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).