N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide

C18H33N3O3 — CID 26395714

IUPACN-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCC1CCOCC1
InChIInChI=1S/C18H33N3O3/c1-14(2)13-21-9-7-19-18(23)16(21)12-17(22)20(3)8-4-15-5-10-24-11-6-15/h14-16H,4-13H2,1-3H3,(H,19,23)/t16-/m0/s1
InChIKeyLBFXNWYVTBFREV-INIZCTEOSA-N
MW339.48 g/mol
LogP1.11
Rot. Bonds7

About N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide

N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 26395714) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID26395714
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCC1CCOCC1
InChIInChI=1S/C18H33N3O3/c1-14(2)13-21-9-7-19-18(23)16(21)12-17(22)20(3)8-4-15-5-10-24-11-6-15/h14-16H,4-13H2,1-3H3,(H,19,23)/t16-/m0/s1
InChIKeyLBFXNWYVTBFREV-INIZCTEOSA-N
XLogP1.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide (CID 26395714) is N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide is CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCC1CCOCC1.
What is the InChIKey of N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is LBFXNWYVTBFREV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-14(2)13-21-9-7-19-18(23)16(21)12-17(22)20(3)8-4-15-5-10-24-11-6-15/h14-16H,4-13H2,1-3H3,(H,19,23)/t16-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide?
N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 26395714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).