[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone

C14H24N2O2 — CID 79732328

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESNCCCOC1CCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C14H24N2O2/c15-8-3-11-18-13-6-9-16(10-7-13)14(17)12-4-1-2-5-12/h1-2,12-13H,3-11,15H2
InChIKeyDPWSDCBTOWSJPS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.31
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone

[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 79732328) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
PubChem CID79732328
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESNCCCOC1CCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C14H24N2O2/c15-8-3-11-18-13-6-9-16(10-7-13)14(17)12-4-1-2-5-12/h1-2,12-13H,3-11,15H2
InChIKeyDPWSDCBTOWSJPS-UHFFFAOYSA-N
XLogP1.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484157
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
1-[4-(3-aminopropoxy)piperidin-1-yl]prop-2-yn-1-one
CID 79735337
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119661869
[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone
CID 124596715
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 119664357
[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 119664571
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119661649
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone (CID 79732328) is [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone is NCCCOC1CCN(C(=O)C2CC=CC2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The InChIKey is DPWSDCBTOWSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-8-3-11-18-13-6-9-16(10-7-13)14(17)12-4-1-2-5-12/h1-2,12-13H,3-11,15H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone has a molecular weight of 252.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 79732328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).