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

C11H23N3O3 — CID 175748625

IUPACN-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide
SMILESCOCCOCCNC(=O)N1CCNC(C)C1
InChIInChI=1S/C11H23N3O3/c1-10-9-14(5-3-12-10)11(15)13-4-6-17-8-7-16-2/h10,12H,3-9H2,1-2H3,(H,13,15)
InChIKeyBIAKGBRHCMBSJU-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.35
Rot. Bonds6

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

N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide (PubChem CID 175748625) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide
PubChem CID175748625
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide
SMILESCOCCOCCNC(=O)N1CCNC(C)C1
InChIInChI=1S/C11H23N3O3/c1-10-9-14(5-3-12-10)11(15)13-4-6-17-8-7-16-2/h10,12H,3-9H2,1-2H3,(H,13,15)
InChIKeyBIAKGBRHCMBSJU-UHFFFAOYSA-N
XLogP-0.35
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.35
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

methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate
CID 165430514
(3R)-3-methyl-N-propylpiperazine-1-carboxamide
CID 104974924
2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 105056363
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
N-(2-methoxyethyl)-3,4-dimethylpiperazine-1-carboxamide
CID 167088370
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
(2R,6S)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]-6-methylmorpholine-4-carboxamide
CID 96516458
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577158
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide (CID 175748625) is N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide is COCCOCCNC(=O)N1CCNC(C)C1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide?
The InChIKey is BIAKGBRHCMBSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-10-9-14(5-3-12-10)11(15)13-4-6-17-8-7-16-2/h10,12H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide?
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide has a molecular weight of 245.32 g/mol, XLogP of -0.35, 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)ethyl]-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 175748625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).