1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea

C19H32N4OS — CID 5310349

IUPAC1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCC(C(C1=CC=CS1)N2CCN(CC2)C)NC(=O)NC3CCCCC3
InChIInChI=1S/C19H32N4OS/c1-15(20-19(24)21-16-7-4-3-5-8-16)18(17-9-6-14-25-17)23-12-10-22(2)11-13-23/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H2,20,21,24)
InChIKeyOLUIHRKTRXGAOK-UHFFFAOYSA-N
MW364.60 g/mol
LogP2.70
Rot. Bonds5

About 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea

1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea (PubChem CID 5310349) has the molecular formula C19H32N4OS and a molecular weight of 364.60 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
PubChem CID5310349
Molecular FormulaC19H32N4OS
Molecular Weight364.60 g/mol
Exact Mass364.23
IUPAC Name1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCC(C(C1=CC=CS1)N2CCN(CC2)C)NC(=O)NC3CCCCC3
InChIInChI=1S/C19H32N4OS/c1-15(20-19(24)21-16-7-4-3-5-8-16)18(17-9-6-14-25-17)23-12-10-22(2)11-13-23/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H2,20,21,24)
InChIKeyOLUIHRKTRXGAOK-UHFFFAOYSA-N
XLogP2.70
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity422

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea 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

1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-yl-1,3-dihydro-imidazol-2-one
CID 10594242
1-Cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2999174
1-Cyclohexyl-3-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550501
1-Cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea
CID 9550850
1-Cyclohexyl-3-(1-(4-phenylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550853
1-Phenyl-3-(1-(4-phenylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 16187049
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
1-Cyclohexyl-3-(thiophen-2-ylmethyl)urea
CID 649999
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 9551603

Frequently Asked Questions

What is the IUPAC name of 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea?
The IUPAC name of 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea (CID 5310349) is 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea?
The canonical SMILES for 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea is CC(C(C1=CC=CS1)N2CCN(CC2)C)NC(=O)NC3CCCCC3.
What is the InChIKey of 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea?
The InChIKey is OLUIHRKTRXGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-15(20-19(24)21-16-7-4-3-5-8-16)18(17-9-6-14-25-17)23-12-10-22(2)11-13-23/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea?
1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea has a molecular weight of 364.60 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea is sourced from PubChem (CID 5310349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).