1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone

C12H20N2O — CID 61297208

IUPAC1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
SMILESNC1CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C12H20N2O/c13-11-6-3-7-14(9-11)12(15)8-10-4-1-2-5-10/h1,4,10-11H,2-3,5-9,13H2
InChIKeyXDWQULDDLJLMQQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.29
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone

1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone (PubChem CID 61297208) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
PubChem CID61297208
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
SMILESNC1CCCN(C(=O)CC2C=CCC2)C1
InChIInChI=1S/C12H20N2O/c13-11-6-3-7-14(9-11)12(15)8-10-4-1-2-5-10/h1,4,10-11H,2-3,5-9,13H2
InChIKeyXDWQULDDLJLMQQ-UHFFFAOYSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 79879749
methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
CID 78919267
1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918261
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95349938
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514247
2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754
2-cyclopent-2-en-1-yl-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 75870724
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95606393
2-cyclopent-2-en-1-yl-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779676
(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61137940

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone (CID 61297208) is 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone is NC1CCCN(C(=O)CC2C=CCC2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone?
The InChIKey is XDWQULDDLJLMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-6-3-7-14(9-11)12(15)8-10-4-1-2-5-10/h1,4,10-11H,2-3,5-9,13H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone?
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone has a molecular weight of 208.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone is sourced from PubChem (CID 61297208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).