1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea

C22H29N3O — CID 108989048

IUPAC1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-24(17-19-7-5-4-6-8-19)22(26)23-20-9-11-21(12-10-20)25-15-13-18(2)14-16-25/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)
InChIKeyKMJDCMQJGFTMOM-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.98
Rot. Bonds5

About 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea

1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea (PubChem CID 108989048) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
PubChem CID108989048
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-24(17-19-7-5-4-6-8-19)22(26)23-20-9-11-21(12-10-20)25-15-13-18(2)14-16-25/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)
InChIKeyKMJDCMQJGFTMOM-UHFFFAOYSA-N
XLogP4.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 108999041
2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108961621
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113163901
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113120493
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea (CID 108989048) is 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea is CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The InChIKey is KMJDCMQJGFTMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-24(17-19-7-5-4-6-8-19)22(26)23-20-9-11-21(12-10-20)25-15-13-18(2)14-16-25/h4-12,18H,3,13-17H2,1-2H3,(H,23,26).
What are the key properties of 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea has a molecular weight of 351.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 108989048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).