1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea

C24H34N4O2 — CID 10024565

IUPAC1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
SMILESCCNCCC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H34N4O2/c1-2-25-15-12-21(29)18-28-16-13-20(14-17-28)26-24(30)27-23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-11,20-21,25,29H,2,12-18H2,1H3,(H2,26,27,30)
InChIKeyICTIKINLKYJLAM-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.30
Rot. Bonds9

About 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea

1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea (PubChem CID 10024565) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
PubChem CID10024565
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
SMILESCCNCCC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H34N4O2/c1-2-25-15-12-21(29)18-28-16-13-20(14-17-28)26-24(30)27-23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-11,20-21,25,29H,2,12-18H2,1H3,(H2,26,27,30)
InChIKeyICTIKINLKYJLAM-UHFFFAOYSA-N
XLogP3.30
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 20598464
N-[1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidin-3-yl]-N-methylacetamide
CID 10117446
1-[1-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10159533
1-[1-[2-hydroxy-3-[2-hydroxyethyl(pentyl)amino]propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10184490
(2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
CID 10298578
1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10226760
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
1-(2-phenylphenyl)-3-[1-[3-(4-phenyl-4-propanoylpiperidin-1-yl)propyl]piperidin-4-yl]urea
CID 10280903
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
1-[1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-2-(hydroxymethyl)phenyl]ethyl]amino]nonyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 11342445
1-(2-phenylphenyl)-3-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461532
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
CID 97328121

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea (CID 10024565) is 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea is CCNCCC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea?
The InChIKey is ICTIKINLKYJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-2-25-15-12-21(29)18-28-16-13-20(14-17-28)26-24(30)27-23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-11,20-21,25,29H,2,12-18H2,1H3,(H2,26,27,30).
What are the key properties of 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea?
1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea has a molecular weight of 410.56 g/mol, XLogP of 3.30, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 10024565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).