1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea

C21H25Cl2N3O — CID 110173334

IUPAC1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCC(c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H25Cl2N3O/c22-19-8-7-18(15-20(19)23)25-21(27)24-11-4-12-26-13-9-17(10-14-26)16-5-2-1-3-6-16/h1-3,5-8,15,17H,4,9-14H2,(H2,24,25,27)
InChIKeyFJBCTJFVUVUYOM-UHFFFAOYSA-N
MW406.36 g/mol
LogP5.38
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea

1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea (PubChem CID 110173334) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
PubChem CID110173334
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCC(c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H25Cl2N3O/c22-19-8-7-18(15-20(19)23)25-21(27)24-11-4-12-26-13-9-17(10-14-26)16-5-2-1-3-6-16/h1-3,5-8,15,17H,4,9-14H2,(H2,24,25,27)
InChIKeyFJBCTJFVUVUYOM-UHFFFAOYSA-N
XLogP5.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.36
LogP ≤ 55.38
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-(3-chloro-4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430349
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
1-(3,4-dimethoxyphenyl)-3-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 97453201
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 125155199
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 118792578

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea (CID 110173334) is 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea is O=C(NCCCN1CCC(c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea?
The InChIKey is FJBCTJFVUVUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c22-19-8-7-18(15-20(19)23)25-21(27)24-11-4-12-26-13-9-17(10-14-26)16-5-2-1-3-6-16/h1-3,5-8,15,17H,4,9-14H2,(H2,24,25,27).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea?
1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea has a molecular weight of 406.36 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 110173334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).