2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide

C15H29N3O3 — CID 25283128

IUPAC2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCOC(C)C
InChIInChI=1S/C15H29N3O3/c1-11(2)10-18-7-5-17-15(20)13(18)9-14(19)16-6-8-21-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyQEMNRLQSIDELSB-ZDUSSCGKSA-N
MW299.41 g/mol
LogP0.37
Rot. Bonds8

About 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide

2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 25283128) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID25283128
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCOC(C)C
InChIInChI=1S/C15H29N3O3/c1-11(2)10-18-7-5-17-15(20)13(18)9-14(19)16-6-8-21-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyQEMNRLQSIDELSB-ZDUSSCGKSA-N
XLogP0.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.37
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide (CID 25283128) is 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide is CC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCOC(C)C.
What is the InChIKey of 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is QEMNRLQSIDELSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)10-18-7-5-17-15(20)13(18)9-14(19)16-6-8-21-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20)/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide?
2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 299.41 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 25283128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).