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

C17H29N3O3 — CID 119661859

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
SMILESCCC(CC)c1cc(C(=O)N2CCC(OCCCN)CC2)on1
InChIInChI=1S/C17H29N3O3/c1-3-13(4-2)15-12-16(23-19-15)17(21)20-9-6-14(7-10-20)22-11-5-8-18/h12-14H,3-11,18H2,1-2H3
InChIKeyJOELRTURJVFKCK-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.55
Rot. Bonds8

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

[4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone (PubChem CID 119661859) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
PubChem CID119661859
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
SMILESCCC(CC)c1cc(C(=O)N2CCC(OCCCN)CC2)on1
InChIInChI=1S/C17H29N3O3/c1-3-13(4-2)15-12-16(23-19-15)17(21)20-9-6-14(7-10-20)22-11-5-8-18/h12-14H,3-11,18H2,1-2H3
InChIKeyJOELRTURJVFKCK-UHFFFAOYSA-N
XLogP2.55
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 115824313
[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 79731777
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 120803741
[2-(aminomethyl)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 119466515
N-(2-aminoethyl)-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479616
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95376983
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119661713
[4-(3-aminopropoxy)piperidin-1-yl]-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119664479

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone (CID 119661859) is [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone is CCC(CC)c1cc(C(=O)N2CCC(OCCCN)CC2)on1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is JOELRTURJVFKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-3-13(4-2)15-12-16(23-19-15)17(21)20-9-6-14(7-10-20)22-11-5-8-18/h12-14H,3-11,18H2,1-2H3.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 2.55, 8 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]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 119661859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).