1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea

C20H29N3O2S — CID 47070919

IUPAC1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2S/c24-19(15-26-18-9-5-2-6-10-18)23-13-11-17(12-14-23)22-20(25)21-16-7-3-1-4-8-16/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2,(H2,21,22,25)
InChIKeyTWTIJVQAYVRFSC-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.40
Rot. Bonds5

About 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea (PubChem CID 47070919) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
PubChem CID47070919
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2S/c24-19(15-26-18-9-5-2-6-10-18)23-13-11-17(12-14-23)22-20(25)21-16-7-3-1-4-8-16/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2,(H2,21,22,25)
InChIKeyTWTIJVQAYVRFSC-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-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

N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide
CID 110672492
N-cyclobutyl-4-(2-phenylsulfanylacetyl)-1,4-oxazepane-6-carboxamide
CID 169419084
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
CID 46588795

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea (CID 47070919) is 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(C(=O)CSc2ccccc2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea?
The InChIKey is TWTIJVQAYVRFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c24-19(15-26-18-9-5-2-6-10-18)23-13-11-17(12-14-23)22-20(25)21-16-7-3-1-4-8-16/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea has a molecular weight of 375.54 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea is sourced from PubChem (CID 47070919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).