[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone

C12H20N2O — CID 64767287

IUPAC[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESNCC1CCCCN1C(=O)C1CC=CC1
InChIInChI=1S/C12H20N2O/c13-9-11-7-3-4-8-14(11)12(15)10-5-1-2-6-10/h1-2,10-11H,3-9,13H2
InChIKeyHZPIVPQUODVWBM-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.29
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone

[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 64767287) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
PubChem CID64767287
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESNCC1CCCCN1C(=O)C1CC=CC1
InChIInChI=1S/C12H20N2O/c13-9-11-7-3-4-8-14(11)12(15)10-5-1-2-6-10/h1-2,10-11H,3-9,13H2
InChIKeyHZPIVPQUODVWBM-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

[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
CID 54899519
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 80504874
[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 119634302
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119467931
[2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226481
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
CID 54899857
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119467930
[2-(aminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103805999

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone (CID 64767287) is [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone is NCC1CCCCN1C(=O)C1CC=CC1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The InChIKey is HZPIVPQUODVWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-9-11-7-3-4-8-14(11)12(15)10-5-1-2-6-10/h1-2,10-11H,3-9,13H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone 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 [2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 64767287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).