1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea

C24H28F3N3O2 — CID 10433743

IUPAC1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(N2CCCCC2)c(C(F)(F)F)c1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C24H28F3N3O2/c25-24(26,27)20-13-16(7-10-22(20)30-11-2-1-3-12-30)15-28-23(32)29-21-6-4-5-17-8-9-18(31)14-19(17)21/h4-7,10,13,18,31H,1-3,8-9,11-12,14-15H2,(H2,28,29,32)
InChIKeyMADBYHVATOBJPL-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.87
Rot. Bonds4

About 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea

1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 10433743) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID10433743
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(N2CCCCC2)c(C(F)(F)F)c1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C24H28F3N3O2/c25-24(26,27)20-13-16(7-10-22(20)30-11-2-1-3-12-30)15-28-23(32)29-21-6-4-5-17-8-9-18(31)14-19(17)21/h4-7,10,13,18,31H,1-3,8-9,11-12,14-15H2,(H2,28,29,32)
InChIKeyMADBYHVATOBJPL-UHFFFAOYSA-N
XLogP4.87
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
CID 10477981
1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 124636229
ethane;1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 143038403
1-[[3-(2,6-difluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 59731004
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 59666305
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea
CID 71168436
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-(3-nitrophenyl)phenyl]methyl]urea
CID 59731017
1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 59731025
N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59666253
1-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 10367070
1-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 66685021
4-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzamide
CID 18416406

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea (CID 10433743) is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(N2CCCCC2)c(C(F)(F)F)c1)Nc1cccc2c1CC(O)CC2.
What is the InChIKey of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is MADBYHVATOBJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c25-24(26,27)20-13-16(7-10-22(20)30-11-2-1-3-12-30)15-28-23(32)29-21-6-4-5-17-8-9-18(31)14-19(17)21/h4-7,10,13,18,31H,1-3,8-9,11-12,14-15H2,(H2,28,29,32).
What are the key properties of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea?
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 447.50 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 10433743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).