1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea

C24H37N3O2S — CID 86889681

IUPAC1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea
SMILESCC(C)Sc1ccc(C(C)NC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C24H37N3O2S/c1-17(2)30-22-11-9-19(10-12-22)18(3)25-24(29)26-21-13-15-27(16-14-21)23(28)20-7-5-4-6-8-20/h9-12,17-18,20-21H,4-8,13-16H2,1-3H3,(H2,25,26,29)
InChIKeyAZTCKJQKWVQYMV-UHFFFAOYSA-N
MW431.65 g/mol
LogP5.12
Rot. Bonds6

About 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea

1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea (PubChem CID 86889681) has the molecular formula C24H37N3O2S and a molecular weight of 431.65 g/mol. Its IUPAC name is 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea
PubChem CID86889681
Molecular FormulaC24H37N3O2S
Molecular Weight431.65 g/mol
Exact Mass431.26
IUPAC Name1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea
SMILESCC(C)Sc1ccc(C(C)NC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C24H37N3O2S/c1-17(2)30-22-11-9-19(10-12-22)18(3)25-24(29)26-21-13-15-27(16-14-21)23(28)20-7-5-4-6-8-20/h9-12,17-18,20-21H,4-8,13-16H2,1-3H3,(H2,25,26,29)
InChIKeyAZTCKJQKWVQYMV-UHFFFAOYSA-N
XLogP5.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.65
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea with MolForge

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Related Compounds

1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
1-cyclohexyl-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100744989
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 86861417
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821926
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea?
The IUPAC name of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea (CID 86889681) is 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea is CC(C)Sc1ccc(C(C)NC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea?
The InChIKey is AZTCKJQKWVQYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2S/c1-17(2)30-22-11-9-19(10-12-22)18(3)25-24(29)26-21-13-15-27(16-14-21)23(28)20-7-5-4-6-8-20/h9-12,17-18,20-21H,4-8,13-16H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea?
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea has a molecular weight of 431.65 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea is sourced from PubChem (CID 86889681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).