1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea

C24H31N3O3 — CID 71168436

IUPAC1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea
SMILESO=C(NCCOc1ccccc1N1CCCCC1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C24H31N3O3/c28-19-12-11-18-7-6-8-21(20(18)17-19)26-24(29)25-13-16-30-23-10-3-2-9-22(23)27-14-4-1-5-15-27/h2-3,6-10,19,28H,1,4-5,11-17H2,(H2,25,26,29)/t19-/m1/s1
InChIKeyMQSZEPHRAZVYLC-LJQANCHMSA-N
MW409.53 g/mol
LogP3.73
Rot. Bonds6

About 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea

1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea (PubChem CID 71168436) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea
PubChem CID71168436
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea
SMILESO=C(NCCOc1ccccc1N1CCCCC1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C24H31N3O3/c28-19-12-11-18-7-6-8-21(20(18)17-19)26-24(29)25-13-16-30-23-10-3-2-9-22(23)27-14-4-1-5-15-27/h2-3,6-10,19,28H,1,4-5,11-17H2,(H2,25,26,29)/t19-/m1/s1
InChIKeyMQSZEPHRAZVYLC-LJQANCHMSA-N
XLogP3.73
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 10367070
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
CID 10477981
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea
CID 10433743
1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 124636229
[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 68749271
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 59666305
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea
CID 24960233
1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975099
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
2-[2-(azepan-1-yl)phenoxy]acetic acid
CID 79694156
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778

Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea (CID 71168436) is 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea is O=C(NCCOc1ccccc1N1CCCCC1)Nc1cccc2c1C[C@H](O)CC2.
What is the InChIKey of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea?
The InChIKey is MQSZEPHRAZVYLC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-19-12-11-18-7-6-8-21(20(18)17-19)26-24(29)25-13-16-30-23-10-3-2-9-22(23)27-14-4-1-5-15-27/h2-3,6-10,19,28H,1,4-5,11-17H2,(H2,25,26,29)/t19-/m1/s1.
What are the key properties of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea?
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea has a molecular weight of 409.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2-(2-piperidin-1-ylphenoxy)ethyl]urea is sourced from PubChem (CID 71168436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).