[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone

C13H21N3O3 — CID 79737157

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C13H21N3O3/c1-10-9-15-19-12(10)13(17)16-6-3-11(4-7-16)18-8-2-5-14/h9,11H,2-8,14H2,1H3
InChIKeyDQUGZUUGKIJVSQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.95
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 79737157) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
PubChem CID79737157
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C13H21N3O3/c1-10-9-15-19-12(10)13(17)16-6-3-11(4-7-16)18-8-2-5-14/h9,11H,2-8,14H2,1H3
InChIKeyDQUGZUUGKIJVSQ-UHFFFAOYSA-N
XLogP0.95
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (CID 79737157) is [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is Cc1cnoc1C(=O)N1CCC(OCCCN)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is DQUGZUUGKIJVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-9-15-19-12(10)13(17)16-6-3-11(4-7-16)18-8-2-5-14/h9,11H,2-8,14H2,1H3.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 79737157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).