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

C21H29N3O3 — CID 55663692

IUPACN-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(Cc2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H29N3O3/c1-2-26-14-6-11-22-21(25)18-9-12-24(13-10-18)16-19-15-20(23-27-19)17-7-4-3-5-8-17/h3-5,7-8,15,18H,2,6,9-14,16H2,1H3,(H,22,25)
InChIKeyAVTWFERMASCDIY-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.10
Rot. Bonds9

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

N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 55663692) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID55663692
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(Cc2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H29N3O3/c1-2-26-14-6-11-22-21(25)18-9-12-24(13-10-18)16-19-15-20(23-27-19)17-7-4-3-5-8-17/h3-5,7-8,15,18H,2,6,9-14,16H2,1H3,(H,22,25)
InChIKeyAVTWFERMASCDIY-UHFFFAOYSA-N
XLogP3.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 55663692) is N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(Cc2cc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is AVTWFERMASCDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-26-14-6-11-22-21(25)18-9-12-24(13-10-18)16-19-15-20(23-27-19)17-7-4-3-5-8-17/h3-5,7-8,15,18H,2,6,9-14,16H2,1H3,(H,22,25).
What are the key properties of N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55663692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).