4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one

C13H24N4O2 — CID 134789941

IUPAC4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one
SMILESNCCCC(=O)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C13H24N4O2/c14-5-1-2-12(18)16-8-9-17(13(19)10-16)11-3-6-15-7-4-11/h11,15H,1-10,14H2
InChIKeyCTIVUSKEVLRXCP-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.85
Rot. Bonds4

About 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one

4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one (PubChem CID 134789941) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one
PubChem CID134789941
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one
SMILESNCCCC(=O)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C13H24N4O2/c14-5-1-2-12(18)16-8-9-17(13(19)10-16)11-3-6-15-7-4-11/h11,15H,1-10,14H2
InChIKeyCTIVUSKEVLRXCP-UHFFFAOYSA-N
XLogP-0.85
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one?
The IUPAC name of 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one (CID 134789941) is 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one.
What is the SMILES notation for 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one?
The canonical SMILES for 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one is NCCCC(=O)N1CCN(C2CCNCC2)C(=O)C1.
What is the InChIKey of 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one?
The InChIKey is CTIVUSKEVLRXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-5-1-2-12(18)16-8-9-17(13(19)10-16)11-3-6-15-7-4-11/h11,15H,1-10,14H2.
What are the key properties of 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one?
4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one has a molecular weight of 268.36 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one is sourced from PubChem (CID 134789941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).