3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea

C20H29F2N3O — CID 86300062

IUPAC3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea
SMILESO=C(NC1CCCCC1)N(Cc1cc(F)ccc1F)CC1CCNCC1
InChIInChI=1S/C20H29F2N3O/c21-17-6-7-19(22)16(12-17)14-25(13-15-8-10-23-11-9-15)20(26)24-18-4-2-1-3-5-18/h6-7,12,15,18,23H,1-5,8-11,13-14H2,(H,24,26)
InChIKeyYYUQZDYHWRJVCJ-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.81
Rot. Bonds5

About 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea

3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea (PubChem CID 86300062) has the molecular formula C20H29F2N3O and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea
PubChem CID86300062
Molecular FormulaC20H29F2N3O
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea
SMILESO=C(NC1CCCCC1)N(Cc1cc(F)ccc1F)CC1CCNCC1
InChIInChI=1S/C20H29F2N3O/c21-17-6-7-19(22)16(12-17)14-25(13-15-8-10-23-11-9-15)20(26)24-18-4-2-1-3-5-18/h6-7,12,15,18,23H,1-5,8-11,13-14H2,(H,24,26)
InChIKeyYYUQZDYHWRJVCJ-UHFFFAOYSA-N
XLogP3.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]urea
CID 1138217
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-oxopiperidin-4-yl)-1-prop-2-enylurea
CID 167820044
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111546661
2-(2,5-difluorophenyl)-N-(4-hydroxycyclohexyl)acetamide
CID 111470021
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea?
The IUPAC name of 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea (CID 86300062) is 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea is O=C(NC1CCCCC1)N(Cc1cc(F)ccc1F)CC1CCNCC1.
What is the InChIKey of 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea?
The InChIKey is YYUQZDYHWRJVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O/c21-17-6-7-19(22)16(12-17)14-25(13-15-8-10-23-11-9-15)20(26)24-18-4-2-1-3-5-18/h6-7,12,15,18,23H,1-5,8-11,13-14H2,(H,24,26).
What are the key properties of 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea?
3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea has a molecular weight of 365.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 86300062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).