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

C11H17N3O — CID 79089907

IUPAC1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nn2cccc2)CC1
InChIInChI=1S/C11H17N3O/c1-10(15)13-8-4-11(5-9-13)12-14-6-2-3-7-14/h2-3,6-7,11-12H,4-5,8-9H2,1H3
InChIKeyLYRRXFPQJLHZRJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.04
Rot. Bonds2

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

1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone (PubChem CID 79089907) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone
PubChem CID79089907
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nn2cccc2)CC1
InChIInChI=1S/C11H17N3O/c1-10(15)13-8-4-11(5-9-13)12-14-6-2-3-7-14/h2-3,6-7,11-12H,4-5,8-9H2,1H3
InChIKeyLYRRXFPQJLHZRJ-UHFFFAOYSA-N
XLogP1.04
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone (CID 79089907) is 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(Nn2cccc2)CC1.
What is the InChIKey of 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone?
The InChIKey is LYRRXFPQJLHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(15)13-8-4-11(5-9-13)12-14-6-2-3-7-14/h2-3,6-7,11-12H,4-5,8-9H2,1H3.
What are the key properties of 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone?
1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrrol-1-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 79089907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).