N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide

C11H23N3O2 — CID 113103320

IUPACN-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2)13-5-7-14(8-6-13)11(15)12-4-9-16-3/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyHDOGMVPUJYJRNX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.37
Rot. Bonds4

About N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide

N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 113103320) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID113103320
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2)13-5-7-14(8-6-13)11(15)12-4-9-16-3/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyHDOGMVPUJYJRNX-UHFFFAOYSA-N
XLogP0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579030
4-(2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 108890532
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
4-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 97039185
4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105129
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
N-(2-methoxyethyl)-3,4-dimethylpiperazine-1-carboxamide
CID 167088370
4-(2,6-dihydroxyhexanoyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 175352765
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
(Z)-3-[2-(2-methoxyethylamino)ethoxy]-2-(methylamino)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 143120701
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide (CID 113103320) is N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide is COCCNC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is HDOGMVPUJYJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(2)13-5-7-14(8-6-13)11(15)12-4-9-16-3/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide?
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113103320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).