2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

C13H23N3O2 — CID 110282708

IUPAC2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1NCCN(CC2CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-9(2)15-12(17)7-11-13(18)16(6-5-14-11)8-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyPIGSWMMSJYRHIG-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 110282708) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
PubChem CID110282708
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1NCCN(CC2CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-9(2)15-12(17)7-11-13(18)16(6-5-14-11)8-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyPIGSWMMSJYRHIG-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (CID 110282708) is 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1NCCN(CC2CC2)C1=O.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is PIGSWMMSJYRHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)15-12(17)7-11-13(18)16(6-5-14-11)8-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 253.35 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 110282708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).