4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide

C15H23N3O2 — CID 122567532

IUPAC4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCOCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-17-8-10-18(11-9-17)15(19)16-7-12-20-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19)
InChIKeyDGDLQEPIUYLRNY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.16
Rot. Bonds5

About 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide

4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide (PubChem CID 122567532) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
PubChem CID122567532
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCOCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-17-8-10-18(11-9-17)15(19)16-7-12-20-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19)
InChIKeyDGDLQEPIUYLRNY-UHFFFAOYSA-N
XLogP1.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.16
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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Related Compounds

1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
CID 91918376
N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112971026
2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 171816273
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide
CID 97197580
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide (CID 122567532) is 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NCCOCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide?
The InChIKey is DGDLQEPIUYLRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-8-10-18(11-9-17)15(19)16-7-12-20-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,19).
What are the key properties of 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide?
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 122567532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).