(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone

C12H20N2O — CID 64767643

IUPAC(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone
SMILESCC1CCN(C(=O)C2CC=CC2)CC1N
InChIInChI=1S/C12H20N2O/c1-9-6-7-14(8-11(9)13)12(15)10-4-2-3-5-10/h2-3,9-11H,4-8,13H2,1H3
InChIKeyPVWZQZLETIBYCT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.15
Rot. Bonds1

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

(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone (PubChem CID 64767643) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone
PubChem CID64767643
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone
SMILESCC1CCN(C(=O)C2CC=CC2)CC1N
InChIInChI=1S/C12H20N2O/c1-9-6-7-14(8-11(9)13)12(15)10-4-2-3-5-10/h2-3,9-11H,4-8,13H2,1H3
InChIKeyPVWZQZLETIBYCT-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.15
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

cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 131320738
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone
CID 114104298
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310372

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone?
The IUPAC name of (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone (CID 64767643) is (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone is CC1CCN(C(=O)C2CC=CC2)CC1N.
What is the InChIKey of (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone?
The InChIKey is PVWZQZLETIBYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-6-7-14(8-11(9)13)12(15)10-4-2-3-5-10/h2-3,9-11H,4-8,13H2,1H3.
What are the key properties of (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone?
(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone has a molecular weight of 208.30 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 64767643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).