[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone

C15H26N2O2 — CID 81484157

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
SMILESNCCCOC1CCN(C(=O)C2C3CCCC32)CC1
InChIInChI=1S/C15H26N2O2/c16-7-2-10-19-11-5-8-17(9-6-11)15(18)14-12-3-1-4-13(12)14/h11-14H,1-10,16H2
InChIKeyQMPUXEWKIPBJLX-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.39
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone (PubChem CID 81484157) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
PubChem CID81484157
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
SMILESNCCCOC1CCN(C(=O)C2C3CCCC32)CC1
InChIInChI=1S/C15H26N2O2/c16-7-2-10-19-11-5-8-17(9-6-11)15(18)14-12-3-1-4-13(12)14/h11-14H,1-10,16H2
InChIKeyQMPUXEWKIPBJLX-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone
CID 124596715
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
1-[4-(3-aminopropoxy)piperidin-1-yl]prop-2-yn-1-one
CID 79735337
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 97235878
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119661869
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 79735000
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone (CID 81484157) is [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone is NCCCOC1CCN(C(=O)C2C3CCCC32)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone?
The InChIKey is QMPUXEWKIPBJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c16-7-2-10-19-11-5-8-17(9-6-11)15(18)14-12-3-1-4-13(12)14/h11-14H,1-10,16H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.39, 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]-(6-bicyclo[3.1.0]hexanyl)methanone is sourced from PubChem (CID 81484157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).