N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide

C21H27N3O3 — CID 51118836

IUPACN-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
SMILESCOCCOCc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-26-14-15-27-17-18-6-5-7-19(16-18)22-21(25)24-12-10-23(11-13-24)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25)
InChIKeyIODSTNHVXLZUAO-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.20
Rot. Bonds7

About N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide

N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 51118836) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
PubChem CID51118836
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
SMILESCOCCOCc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-26-14-15-27-17-18-6-5-7-19(16-18)22-21(25)24-12-10-23(11-13-24)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25)
InChIKeyIODSTNHVXLZUAO-UHFFFAOYSA-N
XLogP3.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86862579
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 135144227
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 55820320
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 47039681
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35668689
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53370700

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide (CID 51118836) is N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide is COCCOCc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is IODSTNHVXLZUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-14-15-27-17-18-6-5-7-19(16-18)22-21(25)24-12-10-23(11-13-24)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25).
What are the key properties of N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide?
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 51118836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).