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

C22H29N3O2 — CID 20598464

IUPAC1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea
SMILESCCC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-2-19(26)16-25-14-12-18(13-15-25)23-22(27)24-21-11-7-6-10-20(21)17-8-4-3-5-9-17/h3-11,18-19,26H,2,12-16H2,1H3,(H2,23,24,27)
InChIKeyYXRHLTDFRLYMFE-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.71
Rot. Bonds6

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

1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea (PubChem CID 20598464) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea
PubChem CID20598464
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea
SMILESCCC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-2-19(26)16-25-14-12-18(13-15-25)23-22(27)24-21-11-7-6-10-20(21)17-8-4-3-5-9-17/h3-11,18-19,26H,2,12-16H2,1H3,(H2,23,24,27)
InChIKeyYXRHLTDFRLYMFE-UHFFFAOYSA-N
XLogP3.71
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10024565
1-[1-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10159533
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(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-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10226760
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-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
CID 97328121
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
1-(2-phenylphenyl)-3-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461532

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea (CID 20598464) is 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea is CCC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea?
The InChIKey is YXRHLTDFRLYMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-19(26)16-25-14-12-18(13-15-25)23-22(27)24-21-11-7-6-10-20(21)17-8-4-3-5-9-17/h3-11,18-19,26H,2,12-16H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea?
1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea has a molecular weight of 367.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 20598464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).