N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide

C16H26N4O2S — CID 52574907

IUPACN-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)NCc2sccc2C)CC1
InChIInChI=1S/C16H26N4O2S/c1-3-5-17-15(21)12-19-6-8-20(9-7-19)16(22)18-11-14-13(2)4-10-23-14/h4,10H,3,5-9,11-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyFAYGTQNORSWRBS-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.41
Rot. Bonds6

About N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide

N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide (PubChem CID 52574907) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
PubChem CID52574907
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)NCc2sccc2C)CC1
InChIInChI=1S/C16H26N4O2S/c1-3-5-17-15(21)12-19-6-8-20(9-7-19)16(22)18-11-14-13(2)4-10-23-14/h4,10H,3,5-9,11-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyFAYGTQNORSWRBS-UHFFFAOYSA-N
XLogP1.41
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110898342
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78897047
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391
2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
CID 55874753
N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 137303366
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87015088
3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
CID 56790214
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 24612699
N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
CID 78827366
1-[(3-methylthiophen-2-yl)methylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983964

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide (CID 52574907) is N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide is CCCNC(=O)CN1CCN(C(=O)NCc2sccc2C)CC1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is FAYGTQNORSWRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-5-17-15(21)12-19-6-8-20(9-7-19)16(22)18-11-14-13(2)4-10-23-14/h4,10H,3,5-9,11-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 52574907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).