3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea

C24H31N3O — CID 1059033

IUPAC3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea
SMILESCC(=Cc1ccccc1)CN(CC1CCNCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C24H31N3O/c1-20(16-21-8-4-2-5-9-21)18-27(19-23-12-14-25-15-13-23)24(28)26-17-22-10-6-3-7-11-22/h2-11,16,23,25H,12-15,17-19H2,1H3,(H,26,28)
InChIKeyNCVLAJJIRMKOIQ-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.30
Rot. Bonds7

About 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea

3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea (PubChem CID 1059033) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea
PubChem CID1059033
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea
SMILESCC(=Cc1ccccc1)CN(CC1CCNCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C24H31N3O/c1-20(16-21-8-4-2-5-9-21)18-27(19-23-12-14-25-15-13-23)24(28)26-17-22-10-6-3-7-11-22/h2-11,16,23,25H,12-15,17-19H2,1H3,(H,26,28)
InChIKeyNCVLAJJIRMKOIQ-UHFFFAOYSA-N
XLogP4.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)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

3-benzyl-1-[[1-(4-fluorobenzoyl)piperidin-4-yl]methyl]-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42706172
3-benzyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 107654227
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729
N-benzylpiperidine-4-carboxamide
CID 3868064
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
1-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-1-(2-methyl-3-phenylprop-2-enyl)-3-thiophen-2-ylurea
CID 123897715
1-(2-benzylideneheptyl)-1-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 5139613
benzylcarbamic acid;piperidine-4-carbaldehyde
CID 174390910
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
3-benzyl-1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 107654375

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea?
The IUPAC name of 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea (CID 1059033) is 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea is CC(=Cc1ccccc1)CN(CC1CCNCC1)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea?
The InChIKey is NCVLAJJIRMKOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-20(16-21-8-4-2-5-9-21)18-27(19-23-12-14-25-15-13-23)24(28)26-17-22-10-6-3-7-11-22/h2-11,16,23,25H,12-15,17-19H2,1H3,(H,26,28).
What are the key properties of 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea?
3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea has a molecular weight of 377.53 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methyl-3-phenylprop-2-enyl)-1-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 1059033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).