1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone

C12H23N3O — CID 83006689

IUPAC1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NN2CCCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-11(16)14-9-5-12(6-10-14)13-15-7-3-2-4-8-15/h12-13H,2-10H2,1H3
InChIKeyYZAHNHVFZCTPCJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.99
Rot. Bonds2

About 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone

1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone (PubChem CID 83006689) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone
PubChem CID83006689
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NN2CCCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-11(16)14-9-5-12(6-10-14)13-15-7-3-2-4-8-15/h12-13H,2-10H2,1H3
InChIKeyYZAHNHVFZCTPCJ-UHFFFAOYSA-N
XLogP0.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone (CID 83006689) is 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NN2CCCCC2)CC1.
What is the InChIKey of 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone?
The InChIKey is YZAHNHVFZCTPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(16)14-9-5-12(6-10-14)13-15-7-3-2-4-8-15/h12-13H,2-10H2,1H3.
What are the key properties of 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone?
1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-1-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 83006689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).