1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea

C22H29N3O — CID 68749941

IUPAC1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
SMILESCN1CCC(N(C(=O)NCCCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-24-17-14-21(15-18-24)25(20-12-6-3-7-13-20)22(26)23-16-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,21H,8,11,14-18H2,1H3,(H,23,26)
InChIKeyROVJTAMMIXWNNL-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.93
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea

1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea (PubChem CID 68749941) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
PubChem CID68749941
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
SMILESCN1CCC(N(C(=O)NCCCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-24-17-14-21(15-18-24)25(20-12-6-3-7-13-20)22(26)23-16-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,21H,8,11,14-18H2,1H3,(H,23,26)
InChIKeyROVJTAMMIXWNNL-UHFFFAOYSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea (CID 68749941) is 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea is CN1CCC(N(C(=O)NCCCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea?
The InChIKey is ROVJTAMMIXWNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-24-17-14-21(15-18-24)25(20-12-6-3-7-13-20)22(26)23-16-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,21H,8,11,14-18H2,1H3,(H,23,26).
What are the key properties of 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea?
1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea has a molecular weight of 351.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea is sourced from PubChem (CID 68749941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).