N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide

C11H16ClN3OS — CID 61438456

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)N1CCNCC1
InChIInChI=1S/C11H16ClN3OS/c1-14(8-9-2-3-10(12)17-9)11(16)15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3
InChIKeyFDIPWLADCRJAPF-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.86
Rot. Bonds2

About N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide (PubChem CID 61438456) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
PubChem CID61438456
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)N1CCNCC1
InChIInChI=1S/C11H16ClN3OS/c1-14(8-9-2-3-10(12)17-9)11(16)15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3
InChIKeyFDIPWLADCRJAPF-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methylazepane-1-carboxamide
CID 116654598
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 61439635
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61439956
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418
4-(5-chlorothiophen-2-yl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83934884
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 55252348
4-[[methyl(piperazine-1-carbonyl)amino]methyl]benzoic acid
CID 61405190
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride
CID 119933422
2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 116676160
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide
CID 115171585

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide (CID 61438456) is N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)N1CCNCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is FDIPWLADCRJAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-14(8-9-2-3-10(12)17-9)11(16)15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 61438456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).