2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

C13H25N3O3 — CID 45250652

IUPAC2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CC1C(=O)NCCN1C
InChIInChI=1S/C13H25N3O3/c1-10(2)19-8-4-5-14-12(17)9-11-13(18)15-6-7-16(11)3/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyBJSSVQSZCJJBKX-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.26
Rot. Bonds7

About 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 45250652) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID45250652
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CC1C(=O)NCCN1C
InChIInChI=1S/C13H25N3O3/c1-10(2)19-8-4-5-14-12(17)9-11-13(18)15-6-7-16(11)3/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyBJSSVQSZCJJBKX-UHFFFAOYSA-N
XLogP-0.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.26
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-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 45250652) is 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CC1C(=O)NCCN1C.
What is the InChIKey of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is BJSSVQSZCJJBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(2)19-8-4-5-14-12(17)9-11-13(18)15-6-7-16(11)3/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-oxopiperazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 45250652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).