N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide

C16H25N3O3 — CID 112972956

IUPACN-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCCOc1cccc(OCCNC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-3-21-14-5-4-6-15(13-14)22-12-7-17-16(20)19-10-8-18(2)9-11-19/h4-6,13H,3,7-12H2,1-2H3,(H,17,20)
InChIKeyKIUSMNXRONLSHJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.42
Rot. Bonds6

About N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide

N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide (PubChem CID 112972956) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
PubChem CID112972956
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCCOc1cccc(OCCNC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-3-21-14-5-4-6-15(13-14)22-12-7-17-16(20)19-10-8-18(2)9-11-19/h4-6,13H,3,7-12H2,1-2H3,(H,17,20)
InChIKeyKIUSMNXRONLSHJ-UHFFFAOYSA-N
XLogP1.42
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970333
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 38151158
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
2-(3-butoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 4733176
N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112971026
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 112971854

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide (CID 112972956) is N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide is CCOc1cccc(OCCNC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is KIUSMNXRONLSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-21-14-5-4-6-15(13-14)22-12-7-17-16(20)19-10-8-18(2)9-11-19/h4-6,13H,3,7-12H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 112972956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).