1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea

C17H27ClN4O — CID 112504926

IUPAC1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea
SMILESCCN1CCN(C(C)(C)CNC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN4O/c1-4-21-8-10-22(11-9-21)17(2,3)13-19-16(23)20-15-7-5-6-14(18)12-15/h5-7,12H,4,8-11,13H2,1-3H3,(H2,19,20,23)
InChIKeyNRYCNMUVVIPVKU-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea

1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea (PubChem CID 112504926) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea
PubChem CID112504926
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea
SMILESCCN1CCN(C(C)(C)CNC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN4O/c1-4-21-8-10-22(11-9-21)17(2,3)13-19-16(23)20-15-7-5-6-14(18)12-15/h5-7,12H,4,8-11,13H2,1-3H3,(H2,19,20,23)
InChIKeyNRYCNMUVVIPVKU-UHFFFAOYSA-N
XLogP2.88
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea
CID 110747899
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842379
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
1-(3-chlorophenyl)-3-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
CID 42707392
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917
(Z)-N-(3-chlorophenyl)-2-cyano-3-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 47086147
1-(3-chlorophenyl)-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 96508358
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea (CID 112504926) is 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea is CCN1CCN(C(C)(C)CNC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea?
The InChIKey is NRYCNMUVVIPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O/c1-4-21-8-10-22(11-9-21)17(2,3)13-19-16(23)20-15-7-5-6-14(18)12-15/h5-7,12H,4,8-11,13H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea?
1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea has a molecular weight of 338.88 g/mol, XLogP of 2.88, 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-ethylpiperazin-1-yl)-2-methylpropyl]urea is sourced from PubChem (CID 112504926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).