4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C18H26N4OS — CID 71781115

IUPAC4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCC(C)c1nccn1CC1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C18H26N4OS/c1-14(2)17-19-7-10-22(17)13-15-5-8-21(9-6-15)18(23)20-12-16-4-3-11-24-16/h3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3,(H,20,23)
InChIKeyWJDBGAHOZWFDNG-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.69
Rot. Bonds5

About 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 71781115) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID71781115
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCC(C)c1nccn1CC1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C18H26N4OS/c1-14(2)17-19-7-10-22(17)13-15-5-8-21(9-6-15)18(23)20-12-16-4-3-11-24-16/h3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3,(H,20,23)
InChIKeyWJDBGAHOZWFDNG-UHFFFAOYSA-N
XLogP3.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 97039665
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 121152261
N-(1,3-benzodioxol-5-yl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494305
1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
(5-bromofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493421
1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492814
4-[(3-chloro-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71798885
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 71781115) is 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is CC(C)c1nccn1CC1CCN(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is WJDBGAHOZWFDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-14(2)17-19-7-10-22(17)13-15-5-8-21(9-6-15)18(23)20-12-16-4-3-11-24-16/h3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3,(H,20,23).
What are the key properties of 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71781115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).