4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide

C20H25N3O3 — CID 108887102

IUPAC4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C20H25N3O3/c1-25-19-10-6-5-9-18(19)22-12-14-23(15-13-22)20(24)21-11-16-26-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyQRJMSADGKPORGV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.61
Rot. Bonds6

About 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 108887102) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID108887102
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C20H25N3O3/c1-25-19-10-6-5-9-18(19)22-12-14-23(15-13-22)20(24)21-11-16-26-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyQRJMSADGKPORGV-UHFFFAOYSA-N
XLogP2.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.61
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-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 38151158
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123
N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108898943
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide (CID 108887102) is 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)NCCOc2ccccc2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is QRJMSADGKPORGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-19-10-6-5-9-18(19)22-12-14-23(15-13-22)20(24)21-11-16-26-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108887102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).