N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide

C16H25N3O2 — CID 108870773

IUPACN-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCOc2ccc(C)cc2C)CC1
InChIInChI=1S/C16H25N3O2/c1-4-18-7-9-19(10-8-18)16(20)17-12-21-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,20)
InChIKeyUUPVGLDPUFSOQC-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.99
Rot. Bonds4

About N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide

N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 108870773) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide
PubChem CID108870773
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCOc2ccc(C)cc2C)CC1
InChIInChI=1S/C16H25N3O2/c1-4-18-7-9-19(10-8-18)16(20)17-12-21-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,20)
InChIKeyUUPVGLDPUFSOQC-UHFFFAOYSA-N
XLogP1.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethylphenoxy)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108870644
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
N-[(2-tert-butyl-4-methylphenoxy)methyl]-4-methylpiperazine-1-carboxamide
CID 108877592
N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 112973265
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
4-(2-aminoethyl)-N-[(2,3-dimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108878343
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 4002847
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
1-tert-butyl-3-[(2,4-dimethylphenoxy)methyl]-1-ethylurea
CID 108870801

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide (CID 108870773) is N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NCOc2ccc(C)cc2C)CC1.
What is the InChIKey of N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is UUPVGLDPUFSOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-18-7-9-19(10-8-18)16(20)17-12-21-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,20).
What are the key properties of N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide?
N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 108870773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).