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

C14H29N3O3 — CID 126752819

IUPACN,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOCCN(CCOC)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3O3/c1-13(2)15-5-7-16(8-6-15)14(18)17(9-11-19-3)10-12-20-4/h13H,5-12H2,1-4H3
InChIKeyAJSLEQIRMXYITJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.73
Rot. Bonds7

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

N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 126752819) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID126752819
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC NameN,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOCCN(CCOC)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3O3/c1-13(2)15-5-7-16(8-6-15)14(18)17(9-11-19-3)10-12-20-4/h13H,5-12H2,1-4H3
InChIKeyAJSLEQIRMXYITJ-UHFFFAOYSA-N
XLogP0.73
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide (CID 126752819) is N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide is COCCN(CCOC)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is AJSLEQIRMXYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-13(2)15-5-7-16(8-6-15)14(18)17(9-11-19-3)10-12-20-4/h13H,5-12H2,1-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide?
N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126752819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).