N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide

C16H25N3O2 — CID 113105053

IUPACN-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O2/c1-21-14-8-17-16(20)19-12-10-18(11-13-19)9-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,17,20)
InChIKeyZKAPEGRNLZGCPZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.20
Rot. Bonds6

About N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide

N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 113105053) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID113105053
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O2/c1-21-14-8-17-16(20)19-12-10-18(11-13-19)9-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,17,20)
InChIKeyZKAPEGRNLZGCPZ-UHFFFAOYSA-N
XLogP1.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide (CID 113105053) is N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is ZKAPEGRNLZGCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-14-8-17-16(20)19-12-10-18(11-13-19)9-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).