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

C20H25N3O3 — CID 72938413

IUPACN-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide
SMILESCOCCOc1ccccc1NC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C20H25N3O3/c1-25-13-14-26-19-10-6-5-9-17(19)22-20(24)23-12-11-21-18(15-23)16-7-3-2-4-8-16/h2-10,18,21H,11-15H2,1H3,(H,22,24)
InChIKeyYBEKGAAJLYTJOP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.89
Rot. Bonds6

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

N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide (PubChem CID 72938413) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide
PubChem CID72938413
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide
SMILESCOCCOc1ccccc1NC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C20H25N3O3/c1-25-13-14-26-19-10-6-5-9-17(19)22-20(24)23-12-11-21-18(15-23)16-7-3-2-4-8-16/h2-10,18,21H,11-15H2,1H3,(H,22,24)
InChIKeyYBEKGAAJLYTJOP-UHFFFAOYSA-N
XLogP2.89
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.89
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-benzoyl-N-[2-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47493503
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
(3S)-N-(5-acetamido-2-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
CID 97285383
1-[[2-(3-methoxypropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077530
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 47493667
3-(methoxymethyl)-N-(2-propoxyphenyl)azetidine-1-carboxamide
CID 126831370
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
CID 110479152
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 72933823
(3R)-3-(hydroxymethyl)-4-methyl-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 97271882

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide (CID 72938413) is N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide is COCCOc1ccccc1NC(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide?
The InChIKey is YBEKGAAJLYTJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-13-14-26-19-10-6-5-9-17(19)22-20(24)23-12-11-21-18(15-23)16-7-3-2-4-8-16/h2-10,18,21H,11-15H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide?
N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 72938413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).