1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea

C22H29N3O — CID 3730510

IUPAC1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-17(2)19-8-10-20(11-9-19)23-22(26)24-21-12-14-25(15-13-21)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H2,23,24,26)
InChIKeyMJEWLTDAVXOMGG-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.60
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 3730510) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
PubChem CID3730510
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-17(2)19-8-10-20(11-9-19)23-22(26)24-21-12-14-25(15-13-21)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H2,23,24,26)
InChIKeyMJEWLTDAVXOMGG-UHFFFAOYSA-N
XLogP4.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)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-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
CID 51726136
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 7402582
1-(1-benzylpiperidin-4-yl)-3-[4-(3-oxopiperazin-1-yl)phenyl]urea
CID 47039739
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea (CID 3730510) is 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is MJEWLTDAVXOMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)19-8-10-20(11-9-19)23-22(26)24-21-12-14-25(15-13-21)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 351.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 3730510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).