[4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid

C21H29N3O2S — CID 170434119

IUPAC[4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CCN2CCN(c3cccc4ccsc34)CC2)CC1
InChIInChI=1S/C21H29N3O2S/c25-21(26)22-18-6-4-16(5-7-18)8-10-23-11-13-24(14-12-23)19-3-1-2-17-9-15-27-20(17)19/h1-3,9,15-16,18,22H,4-8,10-14H2,(H,25,26)
InChIKeyAVSKAHBNSXFDJS-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.24
Rot. Bonds5

About [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid

[4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid (PubChem CID 170434119) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
PubChem CID170434119
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name[4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CCN2CCN(c3cccc4ccsc34)CC2)CC1
InChIInChI=1S/C21H29N3O2S/c25-21(26)22-18-6-4-16(5-7-18)8-10-23-11-13-24(14-12-23)19-3-1-2-17-9-15-27-20(17)19/h1-3,9,15-16,18,22H,4-8,10-14H2,(H,25,26)
InChIKeyAVSKAHBNSXFDJS-UHFFFAOYSA-N
XLogP4.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methylpropanamide;hydrochloride
CID 162319855
[[[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]amino]-hydroxymethylidene]-dimethylazanium
CID 139031870
6-(1-benzothiophen-7-yl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;(Z)-but-2-enedioic acid
CID 155345569
2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
CID 154365304
cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
CID 90309415
3-[4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-2-fluorocyclohexyl]-1,1-dimethylurea
CID 156734219
tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
CID 67125790
1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea
CID 156704203
N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 34207696
N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 156704372
N-[3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]cyclobutyl]cyclopropanesulfonamide
CID 154663143

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid (CID 170434119) is [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid is O=C(O)NC1CCC(CCN2CCN(c3cccc4ccsc34)CC2)CC1.
What is the InChIKey of [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid?
The InChIKey is AVSKAHBNSXFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c25-21(26)22-18-6-4-16(5-7-18)8-10-23-11-13-24(14-12-23)19-3-1-2-17-9-15-27-20(17)19/h1-3,9,15-16,18,22H,4-8,10-14H2,(H,25,26).
What are the key properties of [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid?
[4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid has a molecular weight of 387.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 170434119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).