N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide

C13H20ClN3OS — CID 61439956

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C13H20ClN3OS/c1-10(17-7-5-15-6-8-17)13(18)16(2)9-11-3-4-12(14)19-11/h3-4,10,15H,5-9H2,1-2H3
InChIKeyMTMSERRCSILOGB-UHFFFAOYSA-N
MW301.84 g/mol
LogP1.65
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide (PubChem CID 61439956) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
PubChem CID61439956
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C13H20ClN3OS/c1-10(17-7-5-15-6-8-17)13(18)16(2)9-11-3-4-12(14)19-11/h3-4,10,15H,5-9H2,1-2H3
InChIKeyMTMSERRCSILOGB-UHFFFAOYSA-N
XLogP1.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 61439635
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048451
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 116676160
N-[(5-chlorothiophen-2-yl)methyl]-N-methylazepane-1-carboxamide
CID 116654598
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
4-(5-chlorothiophen-2-yl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83934884
(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 9317239

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide (CID 61439956) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide is CC(C(=O)N(C)Cc1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is MTMSERRCSILOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-10(17-7-5-15-6-8-17)13(18)16(2)9-11-3-4-12(14)19-11/h3-4,10,15H,5-9H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 301.84 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 61439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).