[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone

C18H23N3O2 — CID 23725317

IUPAC[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
SMILESCN(C)c1ccc(CN2CCC(C(=O)c3ncco3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-20(2)16-5-3-14(4-6-16)13-21-10-7-15(8-11-21)17(22)18-19-9-12-23-18/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3
InChIKeyTVTKVCOKVAJQEL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.84
Rot. Bonds5

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

[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone (PubChem CID 23725317) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
PubChem CID23725317
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
SMILESCN(C)c1ccc(CN2CCC(C(=O)c3ncco3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-20(2)16-5-3-14(4-6-16)13-21-10-7-15(8-11-21)17(22)18-19-9-12-23-18/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3
InChIKeyTVTKVCOKVAJQEL-UHFFFAOYSA-N
XLogP2.84
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The IUPAC name of [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone (CID 23725317) is [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The canonical SMILES for [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone is CN(C)c1ccc(CN2CCC(C(=O)c3ncco3)CC2)cc1.
What is the InChIKey of [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The InChIKey is TVTKVCOKVAJQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(2)16-5-3-14(4-6-16)13-21-10-7-15(8-11-21)17(22)18-19-9-12-23-18/h3-6,9,12,15H,7-8,10-11,13H2,1-2H3.
What are the key properties of [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 23725317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).