1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea

C16H24ClN3O — CID 27733890

IUPAC1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(CCCNC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O/c1-13-7-11-20(12-8-13)10-2-9-18-16(21)19-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H2,18,19,21)
InChIKeyYRVTVRRLBCJJOE-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea

1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 27733890) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID27733890
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(CCCNC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O/c1-13-7-11-20(12-8-13)10-2-9-18-16(21)19-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H2,18,19,21)
InChIKeyYRVTVRRLBCJJOE-UHFFFAOYSA-N
XLogP3.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
1-(4-bromophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]thiourea
CID 100631402
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 160562971
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
4-chloro-N-[3-methyl-1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 46523639
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 27743901
2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide
CID 55743134
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]thiourea
CID 17382313
1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
CID 110173334
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea (CID 27733890) is 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea is CC1CCN(CCCNC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is YRVTVRRLBCJJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-13-7-11-20(12-8-13)10-2-9-18-16(21)19-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea?
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 309.84 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 27733890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).