N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide

C19H29N3O3 — CID 110346381

IUPACN,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-5-20(6-2)18(24)22-14-12-21(13-15-22)17(23)19(3,4)25-16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3
InChIKeyMGPBWMGTWPUIMD-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.45
Rot. Bonds5

About N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide

N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide (PubChem CID 110346381) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide
PubChem CID110346381
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-5-20(6-2)18(24)22-14-12-21(13-15-22)17(23)19(3,4)25-16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3
InChIKeyMGPBWMGTWPUIMD-UHFFFAOYSA-N
XLogP2.45
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-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

1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
CID 110346348
N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide
CID 86911809
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346352
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346370
4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde
CID 154645973
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 113237086
2-methyl-2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 110346389
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964288
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide (CID 110346381) is N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccccc2)CC1.
What is the InChIKey of N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide?
The InChIKey is MGPBWMGTWPUIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-20(6-2)18(24)22-14-12-21(13-15-22)17(23)19(3,4)25-16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3.
What are the key properties of N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide?
N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110346381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).