N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

C23H35N3O2 — CID 25163925

IUPACN-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCCCCCCNC(=O)C1(CC2CC(c3ccccc3)=NO2)CCNCC1
InChIInChI=1S/C23H35N3O2/c1-2-3-4-5-9-14-25-22(27)23(12-15-24-16-13-23)18-20-17-21(26-28-20)19-10-7-6-8-11-19/h6-8,10-11,20,24H,2-5,9,12-18H2,1H3,(H,25,27)
InChIKeyVDSSBOCEFCWZQA-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.03
Rot. Bonds10

About N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 25163925) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID25163925
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCCCCCCNC(=O)C1(CC2CC(c3ccccc3)=NO2)CCNCC1
InChIInChI=1S/C23H35N3O2/c1-2-3-4-5-9-14-25-22(27)23(12-15-24-16-13-23)18-20-17-21(26-28-20)19-10-7-6-8-11-19/h6-8,10-11,20,24H,2-5,9,12-18H2,1H3,(H,25,27)
InChIKeyVDSSBOCEFCWZQA-UHFFFAOYSA-N
XLogP4.03
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.03
H-Bond Donors ≤ 52
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-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 25163925) is N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is CCCCCCCNC(=O)C1(CC2CC(c3ccccc3)=NO2)CCNCC1.
What is the InChIKey of N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VDSSBOCEFCWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-2-3-4-5-9-14-25-22(27)23(12-15-24-16-13-23)18-20-17-21(26-28-20)19-10-7-6-8-11-19/h6-8,10-11,20,24H,2-5,9,12-18H2,1H3,(H,25,27).
What are the key properties of N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25163925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).