1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea

C20H25N3O2 — CID 98775527

IUPAC1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO
InChIInChI=1S/C20H25N3O2/c24-15-17-11-12-23(13-16-7-3-1-4-8-16)14-19(17)22-20(25)21-18-9-5-2-6-10-18/h1-10,17,19,24H,11-15H2,(H2,21,22,25)/t17-,19-/m0/s1
InChIKeyDSHSWYAWTIEPCE-HKUYNNGSSA-N
MW339.44 g/mol
LogP2.69
Rot. Bonds5

About 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea

1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea (PubChem CID 98775527) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
PubChem CID98775527
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO
InChIInChI=1S/C20H25N3O2/c24-15-17-11-12-23(13-16-7-3-1-4-8-16)14-19(17)22-20(25)21-18-9-5-2-6-10-18/h1-10,17,19,24H,11-15H2,(H2,21,22,25)/t17-,19-/m0/s1
InChIKeyDSHSWYAWTIEPCE-HKUYNNGSSA-N
XLogP2.69
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea 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

3-[[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166382027
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide
CID 125138738
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022
N-[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000354
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97328592
N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 97246583
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079
3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
CID 146128757
1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea
CID 71235656
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide
CID 98854261

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea?
The IUPAC name of 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea (CID 98775527) is 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea is O=C(Nc1ccccc1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO.
What is the InChIKey of 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea?
The InChIKey is DSHSWYAWTIEPCE-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-15-17-11-12-23(13-16-7-3-1-4-8-16)14-19(17)22-20(25)21-18-9-5-2-6-10-18/h1-10,17,19,24H,11-15H2,(H2,21,22,25)/t17-,19-/m0/s1.
What are the key properties of 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea?
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea has a molecular weight of 339.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea is sourced from PubChem (CID 98775527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).