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

C21H37N3O3 — CID 25446373

IUPAC2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C21H37N3O3/c1-23(11-7-17-8-13-27-14-9-17)20(25)15-19-21(26)22-10-12-24(19)16-18-5-3-2-4-6-18/h17-19H,2-16H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyYCFDQUFMPRRHRJ-LJQANCHMSA-N
MW379.55 g/mol
LogP2.03
Rot. Bonds7

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

2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 25446373) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID25446373
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC Name2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C21H37N3O3/c1-23(11-7-17-8-13-27-14-9-17)20(25)15-19-21(26)22-10-12-24(19)16-18-5-3-2-4-6-18/h17-19H,2-16H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyYCFDQUFMPRRHRJ-LJQANCHMSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (CID 25446373) is 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is CN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1.
What is the InChIKey of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is YCFDQUFMPRRHRJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-23(11-7-17-8-13-27-14-9-17)20(25)15-19-21(26)22-10-12-24(19)16-18-5-3-2-4-6-18/h17-19H,2-16H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 379.55 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 25446373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).