1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one

C14H24N4O2 — CID 134789832

IUPAC1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one
SMILESO=C(N1CCCC1)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C14H24N4O2/c19-13-11-17(14(20)16-7-1-2-8-16)9-10-18(13)12-3-5-15-6-4-12/h12,15H,1-11H2
InChIKeyDJSHWJPEWFZIGU-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.10
Rot. Bonds1

About 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one

1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one (PubChem CID 134789832) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one
PubChem CID134789832
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one
SMILESO=C(N1CCCC1)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C14H24N4O2/c19-13-11-17(14(20)16-7-1-2-8-16)9-10-18(13)12-3-5-15-6-4-12/h12,15H,1-11H2
InChIKeyDJSHWJPEWFZIGU-UHFFFAOYSA-N
XLogP0.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one?
The IUPAC name of 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one (CID 134789832) is 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one?
The canonical SMILES for 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one is O=C(N1CCCC1)N1CCN(C2CCNCC2)C(=O)C1.
What is the InChIKey of 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one?
The InChIKey is DJSHWJPEWFZIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c19-13-11-17(14(20)16-7-1-2-8-16)9-10-18(13)12-3-5-15-6-4-12/h12,15H,1-11H2.
What are the key properties of 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one?
1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one has a molecular weight of 280.37 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4-(pyrrolidine-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 134789832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).