1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea

C21H27N3O2 — CID 60602821

IUPAC1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
SMILESO=C(NCCc1cccc(O)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c25-20-8-4-7-17(15-20)9-12-22-21(26)23-19-10-13-24(14-11-19)16-18-5-2-1-3-6-18/h1-8,15,19,25H,9-14,16H2,(H2,22,23,26)
InChIKeyILGRYAVVCGPDPL-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.90
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea

1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea (PubChem CID 60602821) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
PubChem CID60602821
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
SMILESO=C(NCCc1cccc(O)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c25-20-8-4-7-17(15-20)9-12-22-21(26)23-19-10-13-24(14-11-19)16-18-5-2-1-3-6-18/h1-8,15,19,25H,9-14,16H2,(H2,22,23,26)
InChIKeyILGRYAVVCGPDPL-UHFFFAOYSA-N
XLogP2.90
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]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-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
1-(3-phenylpropyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47065812
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 95310508
1-[3-(benzenesulfonyl)propyl]-3-(1-benzylpiperidin-4-yl)urea
CID 60592524
3-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 131934062
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 110987589
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea (CID 60602821) is 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea is O=C(NCCc1cccc(O)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is ILGRYAVVCGPDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20-8-4-7-17(15-20)9-12-22-21(26)23-19-10-13-24(14-11-19)16-18-5-2-1-3-6-18/h1-8,15,19,25H,9-14,16H2,(H2,22,23,26).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea?
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 353.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 60602821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).