N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide

C21H29N3O2 — CID 119314301

IUPACN-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
SMILESCN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1CCCNC1
InChIInChI=1S/C21H29N3O2/c1-24(21(25)18-11-8-13-22-16-18)14-7-3-6-12-19-15-20(23-26-19)17-9-4-2-5-10-17/h2,4-5,9-10,15,18,22H,3,6-8,11-14,16H2,1H3
InChIKeySUIZSEWHVJUHIU-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.51
Rot. Bonds8

About N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide

N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide (PubChem CID 119314301) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
PubChem CID119314301
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
SMILESCN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1CCCNC1
InChIInChI=1S/C21H29N3O2/c1-24(21(25)18-11-8-13-22-16-18)14-7-3-6-12-19-15-20(23-26-19)17-9-4-2-5-10-17/h2,4-5,9-10,15,18,22H,3,6-8,11-14,16H2,1H3
InChIKeySUIZSEWHVJUHIU-UHFFFAOYSA-N
XLogP3.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide (CID 119314301) is N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide is CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1CCCNC1.
What is the InChIKey of N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide?
The InChIKey is SUIZSEWHVJUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-24(21(25)18-11-8-13-22-16-18)14-7-3-6-12-19-15-20(23-26-19)17-9-4-2-5-10-17/h2,4-5,9-10,15,18,22H,3,6-8,11-14,16H2,1H3.
What are the key properties of N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide?
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide is sourced from PubChem (CID 119314301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).