[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone

C11H22N4O — CID 82509909

IUPAC[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone
SMILESCNC1(C(=O)N2CCNCC2)CCNCC1
InChIInChI=1S/C11H22N4O/c1-12-11(2-4-13-5-3-11)10(16)15-8-6-14-7-9-15/h12-14H,2-9H2,1H3
InChIKeyFIXHIXGHWIYUGV-UHFFFAOYSA-N
MW226.32 g/mol
LogP-1.24
Rot. Bonds2

About [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone

[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone (PubChem CID 82509909) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone
PubChem CID82509909
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone
SMILESCNC1(C(=O)N2CCNCC2)CCNCC1
InChIInChI=1S/C11H22N4O/c1-12-11(2-4-13-5-3-11)10(16)15-8-6-14-7-9-15/h12-14H,2-9H2,1H3
InChIKeyFIXHIXGHWIYUGV-UHFFFAOYSA-N
XLogP-1.24
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone (CID 82509909) is [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone is CNC1(C(=O)N2CCNCC2)CCNCC1.
What is the InChIKey of [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone?
The InChIKey is FIXHIXGHWIYUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-12-11(2-4-13-5-3-11)10(16)15-8-6-14-7-9-15/h12-14H,2-9H2,1H3.
What are the key properties of [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone?
[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82509909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).