1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

C23H33N5OS — CID 86873399

IUPAC1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
SMILESN#Cc1ccc(N2CCC(NC(=O)NCC3(N4CCSCC4)CCCC3)CC2)cc1
InChIInChI=1S/C23H33N5OS/c24-17-19-3-5-21(6-4-19)27-11-7-20(8-12-27)26-22(29)25-18-23(9-1-2-10-23)28-13-15-30-16-14-28/h3-6,20H,1-2,7-16,18H2,(H2,25,26,29)
InChIKeyOUFWHYZJOPNMEB-UHFFFAOYSA-N
MW427.62 g/mol
LogP3.19
Rot. Bonds5

About 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea (PubChem CID 86873399) has the molecular formula C23H33N5OS and a molecular weight of 427.62 g/mol. Its IUPAC name is 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
PubChem CID86873399
Molecular FormulaC23H33N5OS
Molecular Weight427.62 g/mol
Exact Mass427.24
IUPAC Name1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
SMILESN#Cc1ccc(N2CCC(NC(=O)NCC3(N4CCSCC4)CCCC3)CC2)cc1
InChIInChI=1S/C23H33N5OS/c24-17-19-3-5-21(6-4-19)27-11-7-20(8-12-27)26-22(29)25-18-23(9-1-2-10-23)28-13-15-30-16-14-28/h3-6,20H,1-2,7-16,18H2,(H2,25,26,29)
InChIKeyOUFWHYZJOPNMEB-UHFFFAOYSA-N
XLogP3.19
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]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-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 38281830
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-(3-hydroxybutyl)urea
CID 111337334
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 71894125
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
N-[1-(4-cyanophenyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CID 84594978
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86869214
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 86880901
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 155957365
2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2426774
4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 46951890
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]urea
CID 86869170
methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylate
CID 19391665

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea (CID 86873399) is 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea is N#Cc1ccc(N2CCC(NC(=O)NCC3(N4CCSCC4)CCCC3)CC2)cc1.
What is the InChIKey of 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The InChIKey is OUFWHYZJOPNMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5OS/c24-17-19-3-5-21(6-4-19)27-11-7-20(8-12-27)26-22(29)25-18-23(9-1-2-10-23)28-13-15-30-16-14-28/h3-6,20H,1-2,7-16,18H2,(H2,25,26,29).
What are the key properties of 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea has a molecular weight of 427.62 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 86873399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).