4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide

C20H25N3O3 — CID 38151158

IUPAC4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(OCCNC(=O)N2CCN(c3ccccc3O)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-16-5-4-6-17(15-16)26-14-9-21-20(25)23-12-10-22(11-13-23)18-7-2-3-8-19(18)24/h2-8,15,24H,9-14H2,1H3,(H,21,25)
InChIKeyRRUVAEHWMHJTCM-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.61
Rot. Bonds5

About 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide

4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 38151158) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID38151158
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(OCCNC(=O)N2CCN(c3ccccc3O)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-16-5-4-6-17(15-16)26-14-9-21-20(25)23-12-10-22(11-13-23)18-7-2-3-8-19(18)24/h2-8,15,24H,9-14H2,1H3,(H,21,25)
InChIKeyRRUVAEHWMHJTCM-UHFFFAOYSA-N
XLogP2.61
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.61
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

4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 41253166
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
N-[2-(3-methylphenoxy)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 46445438
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
4-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973954
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide (CID 38151158) is 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide is Cc1cccc(OCCNC(=O)N2CCN(c3ccccc3O)CC2)c1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is RRUVAEHWMHJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-16-5-4-6-17(15-16)26-14-9-21-20(25)23-12-10-22(11-13-23)18-7-2-3-8-19(18)24/h2-8,15,24H,9-14H2,1H3,(H,21,25).
What are the key properties of 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide?
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 38151158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).