2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide

C16H25ClN4O2S — CID 87012882

IUPAC2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1)C(=O)N(C)C
InChIInChI=1S/C16H25ClN4O2S/c1-12(16(23)19(2)3)18-15(22)11-21-8-6-20(7-9-21)10-13-4-5-14(17)24-13/h4-5,12H,6-11H2,1-3H3,(H,18,22)
InChIKeySQBJUKDBZJDVNR-UHFFFAOYSA-N
MW372.92 g/mol
LogP1.11
Rot. Bonds6

About 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide

2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 87012882) has the molecular formula C16H25ClN4O2S and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
PubChem CID87012882
Molecular FormulaC16H25ClN4O2S
Molecular Weight372.92 g/mol
Exact Mass372.14
IUPAC Name2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1)C(=O)N(C)C
InChIInChI=1S/C16H25ClN4O2S/c1-12(16(23)19(2)3)18-15(22)11-21-8-6-20(7-9-21)10-13-4-5-14(17)24-13/h4-5,12H,6-11H2,1-3H3,(H,18,22)
InChIKeySQBJUKDBZJDVNR-UHFFFAOYSA-N
XLogP1.11
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide with MolForge

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Related Compounds

N-butan-2-yl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 47007098
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-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8617426
(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 9317239
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 84986849
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 30963137
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9262254
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9262183
(2R)-2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 79013048
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9262222
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide (CID 87012882) is 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide is CC(NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1)C(=O)N(C)C.
What is the InChIKey of 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is SQBJUKDBZJDVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2S/c1-12(16(23)19(2)3)18-15(22)11-21-8-6-20(7-9-21)10-13-4-5-14(17)24-13/h4-5,12H,6-11H2,1-3H3,(H,18,22).
What are the key properties of 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 372.92 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 87012882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).