1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea

C21H27N3O3 — CID 72860951

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCN1CCC(Oc2ccc(NC(=O)N[C@H](CO)c3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O3/c1-24-13-11-19(12-14-24)27-18-9-7-17(8-10-18)22-21(26)23-20(15-25)16-5-3-2-4-6-16/h2-10,19-20,25H,11-15H2,1H3,(H2,22,23,26)/t20-/m1/s1
InChIKeyAJXPYSNYSAPZCE-HXUWFJFHSA-N
MW369.47 g/mol
LogP3.01
Rot. Bonds6

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea (PubChem CID 72860951) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
PubChem CID72860951
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCN1CCC(Oc2ccc(NC(=O)N[C@H](CO)c3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O3/c1-24-13-11-19(12-14-24)27-18-9-7-17(8-10-18)22-21(26)23-20(15-25)16-5-3-2-4-6-16/h2-10,19-20,25H,11-15H2,1H3,(H2,22,23,26)/t20-/m1/s1
InChIKeyAJXPYSNYSAPZCE-HXUWFJFHSA-N
XLogP3.01
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate
CID 7320301
1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933484
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97276719
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 96562726
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea (CID 72860951) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea is CN1CCC(Oc2ccc(NC(=O)N[C@H](CO)c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The InChIKey is AJXPYSNYSAPZCE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-24-13-11-19(12-14-24)27-18-9-7-17(8-10-18)22-21(26)23-20(15-25)16-5-3-2-4-6-16/h2-10,19-20,25H,11-15H2,1H3,(H2,22,23,26)/t20-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea has a molecular weight of 369.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 72860951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).