2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide

C14H26N4O2 — CID 22980201

IUPAC2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide
SMILESCC(C)N1CCC(N2CCN(CC(N)=O)CC2=O)CC1
InChIInChI=1S/C14H26N4O2/c1-11(2)17-5-3-12(4-6-17)18-8-7-16(9-13(15)19)10-14(18)20/h11-12H,3-10H2,1-2H3,(H2,15,19)
InChIKeyKCYAFBFUOJBBSU-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.51
Rot. Bonds4

About 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide

2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 22980201) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide
PubChem CID22980201
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide
SMILESCC(C)N1CCC(N2CCN(CC(N)=O)CC2=O)CC1
InChIInChI=1S/C14H26N4O2/c1-11(2)17-5-3-12(4-6-17)18-8-7-16(9-13(15)19)10-14(18)20/h11-12H,3-10H2,1-2H3,(H2,15,19)
InChIKeyKCYAFBFUOJBBSU-UHFFFAOYSA-N
XLogP-0.51
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide (CID 22980201) is 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide is CC(C)N1CCC(N2CCN(CC(N)=O)CC2=O)CC1.
What is the InChIKey of 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is KCYAFBFUOJBBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(2)17-5-3-12(4-6-17)18-8-7-16(9-13(15)19)10-14(18)20/h11-12H,3-10H2,1-2H3,(H2,15,19).
What are the key properties of 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide?
2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 282.39 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22980201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).