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

C15H28N4O2 — CID 22980204

IUPAC3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
SMILESCC(C)N1CCC(N2CCN(CCC(N)=O)CC2=O)CC1
InChIInChI=1S/C15H28N4O2/c1-12(2)18-7-3-13(4-8-18)19-10-9-17(11-15(19)21)6-5-14(16)20/h12-13H,3-11H2,1-2H3,(H2,16,20)
InChIKeySCVHPZSRSQLTHP-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.12
Rot. Bonds5

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

3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 22980204) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
PubChem CID22980204
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
SMILESCC(C)N1CCC(N2CCN(CCC(N)=O)CC2=O)CC1
InChIInChI=1S/C15H28N4O2/c1-12(2)18-7-3-13(4-8-18)19-10-9-17(11-15(19)21)6-5-14(16)20/h12-13H,3-11H2,1-2H3,(H2,16,20)
InChIKeySCVHPZSRSQLTHP-UHFFFAOYSA-N
XLogP-0.12
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide (CID 22980204) is 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide is CC(C)N1CCC(N2CCN(CCC(N)=O)CC2=O)CC1.
What is the InChIKey of 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is SCVHPZSRSQLTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12(2)18-7-3-13(4-8-18)19-10-9-17(11-15(19)21)6-5-14(16)20/h12-13H,3-11H2,1-2H3,(H2,16,20).
What are the key properties of 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide?
3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 296.42 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 22980204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).