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

C15H25N5OS — CID 128998938

IUPAC4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC2CCCS2)CC1c1nccn1C
InChIInChI=1S/C15H25N5OS/c1-18-7-8-20(11-13(18)14-16-5-6-19(14)2)15(21)17-10-12-4-3-9-22-12/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,21)
InChIKeyUDHPTCJVYVZYMA-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.31
Rot. Bonds3

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

4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 128998938) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID128998938
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC2CCCS2)CC1c1nccn1C
InChIInChI=1S/C15H25N5OS/c1-18-7-8-20(11-13(18)14-16-5-6-19(14)2)15(21)17-10-12-4-3-9-22-12/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,21)
InChIKeyUDHPTCJVYVZYMA-UHFFFAOYSA-N
XLogP1.31
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 128997791
(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129478300
1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea
CID 128988869
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 129474468
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylbutan-1-one
CID 128992681
N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 126817358
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 129477791
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129478979
(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478872
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 129331274

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide (CID 128998938) is 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NCC2CCCS2)CC1c1nccn1C.
What is the InChIKey of 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is UDHPTCJVYVZYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-18-7-8-20(11-13(18)14-16-5-6-19(14)2)15(21)17-10-12-4-3-9-22-12/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,21).
What are the key properties of 4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide?
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 1.31, 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-(thiolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 128998938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).