piperazin-1-yl(pyrrolidin-1-yl)methanone

C9H17N3O — CID 2760443

IUPACpiperazin-1-yl(pyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1)N1CCNCC1
InChIInChI=1S/C9H17N3O/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12/h10H,1-8H2
InChIKeyYKELOMQESZMHBK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds

About piperazin-1-yl(pyrrolidin-1-yl)methanone

piperazin-1-yl(pyrrolidin-1-yl)methanone (PubChem CID 2760443) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is piperazin-1-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(pyrrolidin-1-yl)methanone
PubChem CID2760443
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Namepiperazin-1-yl(pyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1)N1CCNCC1
InChIInChI=1S/C9H17N3O/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12/h10H,1-8H2
InChIKeyYKELOMQESZMHBK-UHFFFAOYSA-N
XLogP0.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of piperazin-1-yl(pyrrolidin-1-yl)methanone (CID 2760443) is piperazin-1-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for piperazin-1-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for piperazin-1-yl(pyrrolidin-1-yl)methanone is O=C(N1CCCC1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(pyrrolidin-1-yl)methanone?
The InChIKey is YKELOMQESZMHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12/h10H,1-8H2.
What are the key properties of piperazin-1-yl(pyrrolidin-1-yl)methanone?
piperazin-1-yl(pyrrolidin-1-yl)methanone has a molecular weight of 183.25 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 2760443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).