4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide

C21H27N3O2 — CID 60547515

IUPAC4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-17-8-6-7-11-20(17)26-15-12-22-21(25)24-14-13-23(2)16-19(24)18-9-4-3-5-10-18/h3-11,19H,12-16H2,1-2H3,(H,22,25)
InChIKeyKEUBEYCSVYGHHD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.07
Rot. Bonds5

About 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide

4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide (PubChem CID 60547515) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
PubChem CID60547515
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-17-8-6-7-11-20(17)26-15-12-22-21(25)24-14-13-23(2)16-19(24)18-9-4-3-5-10-18/h3-11,19H,12-16H2,1-2H3,(H,22,25)
InChIKeyKEUBEYCSVYGHHD-UHFFFAOYSA-N
XLogP3.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 127324357
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95680010
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
CID 136577422
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 891918
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742933
(5-methyl-1,3-oxazol-4-yl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 129381205
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide (CID 60547515) is 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide is Cc1ccccc1OCCNC(=O)N1CCN(C)CC1c1ccccc1.
What is the InChIKey of 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide?
The InChIKey is KEUBEYCSVYGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-8-6-7-11-20(17)26-15-12-22-21(25)24-14-13-23(2)16-19(24)18-9-4-3-5-10-18/h3-11,19H,12-16H2,1-2H3,(H,22,25).
What are the key properties of 4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide?
4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.07, 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-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 60547515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).