1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea

C20H25ClN4O — CID 43063800

IUPAC1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCNC(=O)Nc2cccc(Cl)c2)C(c2ccccc2)C1
InChIInChI=1S/C20H25ClN4O/c1-24-12-13-25(19(15-24)16-6-3-2-4-7-16)11-10-22-20(26)23-18-9-5-8-17(21)14-18/h2-9,14,19H,10-13,15H2,1H3,(H2,22,23,26)
InChIKeyLXDYJMASYNMCAA-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.45
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea (PubChem CID 43063800) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea
PubChem CID43063800
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCNC(=O)Nc2cccc(Cl)c2)C(c2ccccc2)C1
InChIInChI=1S/C20H25ClN4O/c1-24-12-13-25(19(15-24)16-6-3-2-4-7-16)11-10-22-20(26)23-18-9-5-8-17(21)14-18/h2-9,14,19H,10-13,15H2,1H3,(H2,22,23,26)
InChIKeyLXDYJMASYNMCAA-UHFFFAOYSA-N
XLogP3.45
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801852
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 33403212
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78891165
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 80506909
5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 42958850
1-(3-methylphenyl)-2-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]guanidine
CID 111058951
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
5-chloro-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51964590
1-(3-chlorophenyl)-3-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706022
1-(3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706023

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea (CID 43063800) is 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea is CN1CCN(CCNC(=O)Nc2cccc(Cl)c2)C(c2ccccc2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea?
The InChIKey is LXDYJMASYNMCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-24-12-13-25(19(15-24)16-6-3-2-4-7-16)11-10-22-20(26)23-18-9-5-8-17(21)14-18/h2-9,14,19H,10-13,15H2,1H3,(H2,22,23,26).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea has a molecular weight of 372.90 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 43063800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).