N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide

C12H17N3O2S — CID 114137130

IUPACN-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2CNC(=O)CN2)s1
InChIInChI=1S/C12H17N3O2S/c1-2-8-3-4-9(18-8)5-15-12(17)10-6-14-11(16)7-13-10/h3-4,10,13H,2,5-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyYXFUVBTUQUZLKB-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.01
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide

N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 114137130) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID114137130
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2CNC(=O)CN2)s1
InChIInChI=1S/C12H17N3O2S/c1-2-8-3-4-9(18-8)5-15-12(17)10-6-14-11(16)7-13-10/h3-4,10,13H,2,5-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyYXFUVBTUQUZLKB-UHFFFAOYSA-N
XLogP0.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Tenilsetam
CID 65649
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)-2-oxo-2-piperidin-1-ylacetamide
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2,2-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)propanamide
CID 16194562
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 25161814
2-methyl-N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3235708
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
N~2~-acetyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3240904
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
CID 4535556

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide (CID 114137130) is N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide is CCc1ccc(CNC(=O)C2CNC(=O)CN2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is YXFUVBTUQUZLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-8-3-4-9(18-8)5-15-12(17)10-6-14-11(16)7-13-10/h3-4,10,13H,2,5-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 114137130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).