1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea

C24H30N4O — CID 22393346

IUPAC1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
SMILESN#Cc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1
InChIInChI=1S/C24H30N4O/c25-18-22-9-4-11-23(17-22)27-24(29)26-14-6-16-28-15-5-10-21(19-28)13-12-20-7-2-1-3-8-20/h1-4,7-9,11,17,21H,5-6,10,12-16,19H2,(H2,26,27,29)
InChIKeyATESZFLERLQBNT-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.41
Rot. Bonds8

About 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea

1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea (PubChem CID 22393346) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
PubChem CID22393346
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
SMILESN#Cc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1
InChIInChI=1S/C24H30N4O/c25-18-22-9-4-11-23(17-22)27-24(29)26-14-6-16-28-15-5-10-21(19-28)13-12-20-7-2-1-3-8-20/h1-4,7-9,11,17,21H,5-6,10,12-16,19H2,(H2,26,27,29)
InChIKeyATESZFLERLQBNT-UHFFFAOYSA-N
XLogP4.41
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyanophenyl)-3-[3-[3-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393396
1-(3-cyanophenyl)-3-[4-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]butyl]urea
CID 22393300
1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
CID 70135068
1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
CID 22393376
1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393401
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-(4-cyanophenyl)urea
CID 52513610
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
CID 43428235
1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea
CID 125159394
2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 42724418
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 51106201
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea (CID 22393346) is 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea is N#Cc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The InChIKey is ATESZFLERLQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c25-18-22-9-4-11-23(17-22)27-24(29)26-14-6-16-28-15-5-10-21(19-28)13-12-20-7-2-1-3-8-20/h1-4,7-9,11,17,21H,5-6,10,12-16,19H2,(H2,26,27,29).
What are the key properties of 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea has a molecular weight of 390.53 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea is sourced from PubChem (CID 22393346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).