1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone

C24H33N3O3 — CID 11857828

IUPAC1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
SMILESO=C(Cc1coc(-c2ccc(OCCCN3CCCCC3)cc2)n1)N1CCCCC1
InChIInChI=1S/C24H33N3O3/c28-23(27-15-5-2-6-16-27)18-21-19-30-24(25-21)20-8-10-22(11-9-20)29-17-7-14-26-12-3-1-4-13-26/h8-11,19H,1-7,12-18H2
InChIKeyREBYTCGTMZRZBI-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.15
Rot. Bonds8

About 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone

1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone (PubChem CID 11857828) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
PubChem CID11857828
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
SMILESO=C(Cc1coc(-c2ccc(OCCCN3CCCCC3)cc2)n1)N1CCCCC1
InChIInChI=1S/C24H33N3O3/c28-23(27-15-5-2-6-16-27)18-21-19-30-24(25-21)20-8-10-22(11-9-20)29-17-7-14-26-12-3-1-4-13-26/h8-11,19H,1-7,12-18H2
InChIKeyREBYTCGTMZRZBI-UHFFFAOYSA-N
XLogP4.15
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
2-[4-[4-(2-methylpiperidin-1-yl)butoxy]phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 11857748
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole
CID 11500937
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
2-[4-(3-chloropropoxy)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 59457498
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119546423
1-[3-(methylamino)piperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone;hydrochloride
CID 119491676

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone (CID 11857828) is 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone is O=C(Cc1coc(-c2ccc(OCCCN3CCCCC3)cc2)n1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The InChIKey is REBYTCGTMZRZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c28-23(27-15-5-2-6-16-27)18-21-19-30-24(25-21)20-8-10-22(11-9-20)29-17-7-14-26-12-3-1-4-13-26/h8-11,19H,1-7,12-18H2.
What are the key properties of 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone has a molecular weight of 411.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 11857828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).