N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide

C18H29N3OS — CID 35672039

IUPACN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
SMILESCCN1CCN(C2(CNC(=O)c3cccs3)CCCCC2)CC1
InChIInChI=1S/C18H29N3OS/c1-2-20-10-12-21(13-11-20)18(8-4-3-5-9-18)15-19-17(22)16-7-6-14-23-16/h6-7,14H,2-5,8-13,15H2,1H3,(H,19,22)
InChIKeyCLQRVUASLQFVGE-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.82
Rot. Bonds5

About N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide

N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide (PubChem CID 35672039) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
PubChem CID35672039
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC NameN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
SMILESCCN1CCN(C2(CNC(=O)c3cccs3)CCCCC2)CC1
InChIInChI=1S/C18H29N3OS/c1-2-20-10-12-21(13-11-20)18(8-4-3-5-9-18)15-19-17(22)16-7-6-14-23-16/h6-7,14H,2-5,8-13,15H2,1H3,(H,19,22)
InChIKeyCLQRVUASLQFVGE-UHFFFAOYSA-N
XLogP2.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46817755
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 26560125
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide
CID 801818
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 28821030
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide (CID 35672039) is N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide is CCN1CCN(C2(CNC(=O)c3cccs3)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide?
The InChIKey is CLQRVUASLQFVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-2-20-10-12-21(13-11-20)18(8-4-3-5-9-18)15-19-17(22)16-7-6-14-23-16/h6-7,14H,2-5,8-13,15H2,1H3,(H,19,22).
What are the key properties of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide?
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide has a molecular weight of 335.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 35672039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).