4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide

C15H21N5OS — CID 128997791

IUPAC4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccsc2)CC1c1nccn1C
InChIInChI=1S/C15H21N5OS/c1-18-6-7-20(10-13(18)14-16-4-5-19(14)2)15(21)17-9-12-3-8-22-11-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyYFIOJQZQCZPQKM-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.68
Rot. Bonds3

About 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide

4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 128997791) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
PubChem CID128997791
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccsc2)CC1c1nccn1C
InChIInChI=1S/C15H21N5OS/c1-18-6-7-20(10-13(18)14-16-4-5-19(14)2)15(21)17-9-12-3-8-22-11-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyYFIOJQZQCZPQKM-UHFFFAOYSA-N
XLogP1.68
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129478300
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide
CID 128998938
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 129474468
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 129331274
(3S)-4-ethyl-N-(furan-3-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129331566
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 129477791
N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 130650634
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
3-(furan-3-yl)-1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 128997702

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide (CID 128997791) is 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NCc2ccsc2)CC1c1nccn1C.
What is the InChIKey of 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is YFIOJQZQCZPQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-18-6-7-20(10-13(18)14-16-4-5-19(14)2)15(21)17-9-12-3-8-22-11-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,17,21).
What are the key properties of 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 128997791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).