4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide

C17H26ClN3OS — CID 42928325

IUPAC4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide
SMILESCC1CCCCC1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C17H26ClN3OS/c1-13-4-2-3-5-15(13)19-17(22)21-10-8-20(9-11-21)12-14-6-7-16(18)23-14/h6-7,13,15H,2-5,8-12H2,1H3,(H,19,22)
InChIKeyKXXVKJZRYQDEES-UHFFFAOYSA-N
MW355.94 g/mol
LogP3.81
Rot. Bonds3

About 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide

4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide (PubChem CID 42928325) has the molecular formula C17H26ClN3OS and a molecular weight of 355.94 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide
PubChem CID42928325
Molecular FormulaC17H26ClN3OS
Molecular Weight355.94 g/mol
Exact Mass355.15
IUPAC Name4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide
SMILESCC1CCCCC1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C17H26ClN3OS/c1-13-4-2-3-5-15(13)19-17(22)21-10-8-20(9-11-21)12-14-6-7-16(18)23-14/h6-7,13,15H,2-5,8-12H2,1H3,(H,19,22)
InChIKeyKXXVKJZRYQDEES-UHFFFAOYSA-N
XLogP3.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.94
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9262254
4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 86912545
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813296
4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
CID 51330583
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 51241085
4-[(5-chlorothiophen-2-yl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17149156
N-(4-chlorophenyl)-4-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 75375800

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide (CID 42928325) is 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide is CC1CCCCC1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
The InChIKey is KXXVKJZRYQDEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3OS/c1-13-4-2-3-5-15(13)19-17(22)21-10-8-20(9-11-21)12-14-6-7-16(18)23-14/h6-7,13,15H,2-5,8-12H2,1H3,(H,19,22).
What are the key properties of 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide?
4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide has a molecular weight of 355.94 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 42928325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).