2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate

C19H27N3O3 — CID 171816273

IUPAC2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c1-16(2)18(23)25-15-9-20-19(24)22-13-11-21(12-14-22)10-8-17-6-4-3-5-7-17/h3-7H,1,8-15H2,2H3,(H,20,24)
InChIKeyQSOFMKGLJIMSGU-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.68
Rot. Bonds7

About 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate

2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 171816273) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID171816273
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c1-16(2)18(23)25-15-9-20-19(24)22-13-11-21(12-14-22)10-8-17-6-4-3-5-7-17/h3-7H,1,8-15H2,2H3,(H,20,24)
InChIKeyQSOFMKGLJIMSGU-UHFFFAOYSA-N
XLogP1.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 55473682
CID 175978198
CID 175978198
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate (CID 171816273) is 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is QSOFMKGLJIMSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-16(2)18(23)25-15-9-20-19(24)22-13-11-21(12-14-22)10-8-17-6-4-3-5-7-17/h3-7H,1,8-15H2,2H3,(H,20,24).
What are the key properties of 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate?
2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 345.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 171816273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).