1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone

C11H17N3O — CID 115277206

IUPAC1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
SMILESNC1CCCN(C(=O)Cc2ccc[nH]2)C1
InChIInChI=1S/C11H17N3O/c12-9-3-2-6-14(8-9)11(15)7-10-4-1-5-13-10/h1,4-5,9,13H,2-3,6-8,12H2
InChIKeyZYSDRMTUMPIIRB-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.51
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone

1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone (PubChem CID 115277206) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
PubChem CID115277206
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
SMILESNC1CCCN(C(=O)Cc2ccc[nH]2)C1
InChIInChI=1S/C11H17N3O/c12-9-3-2-6-14(8-9)11(15)7-10-4-1-5-13-10/h1,4-5,9,13H,2-3,6-8,12H2
InChIKeyZYSDRMTUMPIIRB-UHFFFAOYSA-N
XLogP0.51
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
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2-(1H-pyrrol-2-yl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazin-1-yl]ethanone
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CID 61297761
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
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CID 110813914
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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone (CID 115277206) is 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone is NC1CCCN(C(=O)Cc2ccc[nH]2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone?
The InChIKey is ZYSDRMTUMPIIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-9-3-2-6-14(8-9)11(15)7-10-4-1-5-13-10/h1,4-5,9,13H,2-3,6-8,12H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 115277206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).