N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide

C17H27N3OS — CID 51620596

IUPACN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
SMILESCN1CCN([C@H](CNC(=O)C2CCCC2)c2ccsc2)CC1
InChIInChI=1S/C17H27N3OS/c1-19-7-9-20(10-8-19)16(15-6-11-22-13-15)12-18-17(21)14-4-2-3-5-14/h6,11,13-14,16H,2-5,7-10,12H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyJFMTYXDAYZRCEV-MRXNPFEDSA-N
MW321.49 g/mol
LogP2.34
Rot. Bonds5

About N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide

N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide (PubChem CID 51620596) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
PubChem CID51620596
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC NameN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
SMILESCN1CCN([C@H](CNC(=O)C2CCCC2)c2ccsc2)CC1
InChIInChI=1S/C17H27N3OS/c1-19-7-9-20(10-8-19)16(15-6-11-22-13-15)12-18-17(21)14-4-2-3-5-14/h6,11,13-14,16H,2-5,7-10,12H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyJFMTYXDAYZRCEV-MRXNPFEDSA-N
XLogP2.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
CID 16931542
N'-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932240
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699
N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932254
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848564
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide (CID 51620596) is N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide is CN1CCN([C@H](CNC(=O)C2CCCC2)c2ccsc2)CC1.
What is the InChIKey of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide?
The InChIKey is JFMTYXDAYZRCEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-19-7-9-20(10-8-19)16(15-6-11-22-13-15)12-18-17(21)14-4-2-3-5-14/h6,11,13-14,16H,2-5,7-10,12H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide?
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide has a molecular weight of 321.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide is sourced from PubChem (CID 51620596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).