1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea

C21H24N4O2 — CID 121109523

IUPAC1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
SMILESO=C(NCc1ccccc1)NCC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H24N4O2/c26-20(22-14-16-6-2-1-3-7-16)23-15-17-10-12-25(13-11-17)21-24-18-8-4-5-9-19(18)27-21/h1-9,17H,10-15H2,(H2,22,23,26)
InChIKeyILNQEOYLHJGLCI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.54
Rot. Bonds5

About 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea

1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea (PubChem CID 121109523) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea.

Molecular Properties

Compound Name1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
PubChem CID121109523
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
SMILESO=C(NCc1ccccc1)NCC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H24N4O2/c26-20(22-14-16-6-2-1-3-7-16)23-15-17-10-12-25(13-11-17)21-24-18-8-4-5-9-19(18)27-21/h1-9,17H,10-15H2,(H2,22,23,26)
InChIKeyILNQEOYLHJGLCI-UHFFFAOYSA-N
XLogP3.54
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea 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-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 121109534
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121108011
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-propan-2-ylurea
CID 121109518
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 100676870
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
CID 121109371
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-chlorobenzamide
CID 121109413
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-(3,4-dichlorophenyl)urea
CID 121109546
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 121107967
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine
CID 122154060
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 121109471
tert-butyl N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 71632456

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea?
The IUPAC name of 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea (CID 121109523) is 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea.
What is the SMILES notation for 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea?
The canonical SMILES for 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea is O=C(NCc1ccccc1)NCC1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea?
The InChIKey is ILNQEOYLHJGLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(22-14-16-6-2-1-3-7-16)23-15-17-10-12-25(13-11-17)21-24-18-8-4-5-9-19(18)27-21/h1-9,17H,10-15H2,(H2,22,23,26).
What are the key properties of 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea?
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea has a molecular weight of 364.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea is sourced from PubChem (CID 121109523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).