N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C15H23N3OS — CID 63265752

IUPACN-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H23N3OS/c1-17(9-10-18-7-5-16-6-8-18)15(19)14-11-12-3-2-4-13(12)20-14/h11,16H,2-10H2,1H3
InChIKeyLGKFRASBDRQUSD-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.21
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 63265752) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID63265752
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H23N3OS/c1-17(9-10-18-7-5-16-6-8-18)15(19)14-11-12-3-2-4-13(12)20-14/h11,16H,2-10H2,1H3
InChIKeyLGKFRASBDRQUSD-UHFFFAOYSA-N
XLogP1.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43443281
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N-methyl-N-piperidin-4-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 119442107
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63939663
ethyl 2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(methyl)amino]acetate
CID 55003287
N-(azepan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 104974435
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 54992085
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
1,4-diazepan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119418449

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 63265752) is N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CN(CCN1CCNCC1)C(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is LGKFRASBDRQUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17(9-10-18-7-5-16-6-8-18)15(19)14-11-12-3-2-4-13(12)20-14/h11,16H,2-10H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 63265752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).