1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone

C13H22N2O — CID 79879749

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
SMILESCC1CN(C(=O)CC2C=CCC2)CCC1N
InChIInChI=1S/C13H22N2O/c1-10-9-15(7-6-12(10)14)13(16)8-11-4-2-3-5-11/h2,4,10-12H,3,5-9,14H2,1H3
InChIKeyCPCFAKNOXIOQQP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.54
Rot. Bonds2

About 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone

1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone (PubChem CID 79879749) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
PubChem CID79879749
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
SMILESCC1CN(C(=O)CC2C=CCC2)CCC1N
InChIInChI=1S/C13H22N2O/c1-10-9-15(7-6-12(10)14)13(16)8-11-4-2-3-5-11/h2,4,10-12H,3,5-9,14H2,1H3
InChIKeyCPCFAKNOXIOQQP-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.54
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-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918261
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 79867611
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95341116
methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
CID 78919267
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119592411
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
2-cyclopent-2-en-1-yl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727159
3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323252

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone (CID 79879749) is 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone is CC1CN(C(=O)CC2C=CCC2)CCC1N.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone?
The InChIKey is CPCFAKNOXIOQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-9-15(7-6-12(10)14)13(16)8-11-4-2-3-5-11/h2,4,10-12H,3,5-9,14H2,1H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone?
1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone has a molecular weight of 222.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone is sourced from PubChem (CID 79879749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).