1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea

C17H27ClN4O2 — CID 110303042

IUPAC1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(c1ccccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C17H27ClN4O2/c1-21-8-10-22(11-9-21)16(14-5-3-4-6-15(14)18)13-20-17(23)19-7-12-24-2/h3-6,16H,7-13H2,1-2H3,(H2,19,20,23)
InChIKeyDFTAPPAJJFOVHM-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.57
Rot. Bonds7

About 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea

1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea (PubChem CID 110303042) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
PubChem CID110303042
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(c1ccccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C17H27ClN4O2/c1-21-8-10-22(11-9-21)16(14-5-3-4-6-15(14)18)13-20-17(23)19-7-12-24-2/h3-6,16H,7-13H2,1-2H3,(H2,19,20,23)
InChIKeyDFTAPPAJJFOVHM-UHFFFAOYSA-N
XLogP1.57
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
ethyl 2-[[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504722
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 112504717
2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445553
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 112504693
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea
CID 112820227
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea (CID 110303042) is 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCC(c1ccccc1Cl)N1CCN(C)CC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is DFTAPPAJJFOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-21-8-10-22(11-9-21)16(14-5-3-4-6-15(14)18)13-20-17(23)19-7-12-24-2/h3-6,16H,7-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea?
1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 354.88 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 110303042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).